David Singh - Publications

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Year Citation  Score
2004 Wu Z, Cohen RE, Singh DJ, Gupta R, Gupta M. Weighted-density-approximation description of rare-earth trihydrides Physical Review B. 69. DOI: 10.1103/Physrevb.69.085104  0.435
1990 Singh D, Cohen RE, Papaconstantopoulos DA. Erratum: "Possiblity of LiPdHx as a new ionic superconductor" Physical Review. B, Condensed Matter. 41: 9540. PMID 10021515 DOI: 10.1103/PHYSREVB.41.9540.3  0.365
1990 Singh D, Pickett WE, Cohen RE, Papaconstantopoulos DA, Krakauer H. Magnetism in layered oxides: Results from spin density functional calculations Physica B: Physics of Condensed Matter. 163: 470-472. DOI: 10.1016/0921-4526(90)90243-N  0.438
Low-probability matches (unlikely to be authored by this person)
2001 Patschke R, Zhang X, Singh D, Schindler J, Kannewurf CR, Lowhorn N, Tritt T, Nolas GS, Kanatzidis MG. Thermoelectric properties and electronic structure of the cage compounds A2BaCu8Te10 (A = K, Rb, Cs): Systems with low thermal conductivity Chemistry of Materials. 13: 613-621. DOI: 10.1021/Cm000390O  0.283
1991 Singh DJ, Papaconstantopoulos DA, Krakauer H, Klein BM, Pickett WE. Electronic structure of doped Sr2VO4 Physica C: Superconductivity and Its Applications. 175: 329-334. DOI: 10.1016/0921-4534(91)90605-X  0.269
2015 Qiao L, Jang JH, Singh DJ, Gai Z, Xiao H, Mehta A, Vasudevan RK, Tselev A, Feng Z, Zhou H, Li S, Prellier W, Zu X, Liu Z, Borisevich A, et al. Dimensionality Controlled Octahedral Symmetry-Mismatch and Functionalities in Epitaxial LaCoO3/SrTiO3 Heterostructures. Nano Letters. PMID 26103204 DOI: 10.1021/Acs.Nanolett.5B01471  0.268
2015 Schneemeyer LF, Siegrist T, Besara T, Lundberg M, Sun J, Singh DJ. A family of rare earth molybdenum bronzes: Oxides consisting of periodic arrays of interacting magnetic units Journal of Solid State Chemistry. 227: 178-185. DOI: 10.1016/J.Jssc.2015.03.028  0.267
2006 Rai RC, Cao J, Brown S, Musfeldt JL, Kasinathan D, Singh DJ, Lawes G, Rogado N, Cava RJ, Wei X. Optical properties and magnetic-field-induced phase transitions in the ferroelectric state of Ni3 V2 O8: Experiments and first-principles calculations Physical Review B - Condensed Matter and Materials Physics. 74. DOI: 10.1103/Physrevb.74.235101  0.257
1997 Singh D, Mazin I, KIM S, Nordstrom L. Computational Studies of Novel Thermoelectric Materials Mrs Proceedings. 478. DOI: 10.1557/PROC-478-187  0.256
2019 Ong KP, Wu S, Nguyen TH, Singh DJ, Fan Z, Sullivan MB, Dang C. Multi Band Gap Electronic Structure in CHNHPbI. Scientific Reports. 9: 2144. PMID 30765739 DOI: 10.1038/S41598-018-38023-2  0.255
2011 Parker D, Du M, Singh DJ. Doping dependence of thermoelectric performance in Mo3Sb7: First-principles calculations Physical Review B. 83. DOI: 10.1103/Physrevb.83.245111  0.254
1998 Singh DJ, Pickett WE. Lattice effects in ferromagnetic manganite perovskites Journal of Applied Physics. 83: 7354-7356. DOI: 10.1063/1.367678  0.254
1989 Pickett WE, Singh D, Papaconstantopoulos DA, Krakauer H, Cyrot M, Cyrot-Lackmann F. Theoretical studies of Sr2VO4, a charge conjugate analog of La2CuO4 Physica C: Superconductivity and Its Applications. 162: 1433-1434. DOI: 10.1016/0921-4534(89)90758-2  0.252
2013 Cao G, Subedi A, Calder S, Yan JQ, Yi J, Gai Z, Poudel L, Singh DJ, Lumsden MD, Christianson AD, Sales BC, Mandrus D. Magnetism and electronic structure of La2ZnIrO6 and La2MgIrO6: Candidate Jeff=12 Mott insulators Physical Review B - Condensed Matter and Materials Physics. 87. DOI: 10.1103/Physrevb.87.155136  0.252
2013 Parker D, Singh DJ. Alkaline earth lead and tin compounds Ae2Pb, Ae2Sn, Ae = Ca, Sr, Ba, as thermoelectric materials. Science and Technology of Advanced Materials. 14: 055003. PMID 27877610 DOI: 10.1088/1468-6996/14/5/055003  0.25
2010 Zhang L, Du M, Singh DJ. Zintl-phase compounds with SnSb4 tetrahedral anions. Electronic structure and thermoelectric properties Physical Review B. 81: 75117. DOI: 10.1103/Physrevb.81.075117  0.249
2006 Singh DJ, Rai RC, Musfeldt JL, Auluck S, Singh N, Khalifah P, McClure S, Mandrus DG. Optical Properties and Electronic Structure of Spinel ZnRh2O4. Cheminform. 37. DOI: 10.1021/Cm060160V  0.246
2020 Huang HH, Fan X, Singh DJ, Zheng WT. Thermoelectric properties of monolayer GeAsSe and SnSbTe Journal of Materials Chemistry C. 8: 9763-9774. DOI: 10.1039/D0Tc01488E  0.244
2015 Singh DJ. Multiband Semimetallic Electronic Structure of Superconducting Ta2PdSe5. Plos One. 10: e0123667. PMID 25909894 DOI: 10.1371/journal.pone.0123667  0.244
1989 Singh D, Pickett WE, Krakauer H. Electronic structure of CaCuO2, parent of the high-Tc superconductors Physica C: Superconductivity and Its Applications. 162: 1431-1432. DOI: 10.1016/0921-4534(89)90757-0  0.243
2014 Shanavas KV, Parker D, Singh DJ. Theoretical study on the role of dynamics on the unusual magnetic properties in MnBi. Scientific Reports. 4: 7222. PMID 25428000 DOI: 10.1038/srep07222  0.242
2008 Singh DJ, Du M, Zhang L, Subedi A, An J. Electronic Structure, Magnetism and Spin-Fluctuations in Fe-As Based Superconductors Mrs Proceedings. 1148. DOI: 10.1557/Proc-1148-Pp02-01  0.241
2016 Vilmercati P, Mo S, Fedorov A, McGuire MA, Sefat A, Sales B, Mandrus D, Singh DJ, Ku W, Johnston S, Mannella N. Nonrigid band shift and nonmonotonic electronic structure changes upon doping in the normal state of the pnictide high-temperature superconductorBa(Fe1−xCox)2As2 Physical Review B. 94. DOI: 10.1103/Physrevb.94.195147  0.241
2017 Honer CJ, Prosniewski MJ, Putatunda A, Singh DJ. Properties of the antiferromagnetic selenite MnSeO3 and its non-magnetic analogue ZnSnO3 from first principles calculations. Journal of Physics. Condensed Matter : An Institute of Physics Journal. PMID 28703714 DOI: 10.1088/1361-648X/aa7f89  0.24
2022 Ji J, Tang Q, Yao M, Yang H, Jin Y, Zhang Y, Xi J, Singh DJ, Yang J, Zhang W. Functional-Unit-Based Material Design: Ultralow Thermal Conductivity in Thermoelectrics with Linear Triatomic Resonant Bonds. Journal of the American Chemical Society. PMID 36136764 DOI: 10.1021/jacs.2c08062  0.239
2018 Bassman L, Rajak P, Kalia RK, Nakano A, Sha F, Aykol M, Huck P, Persson K, Sun J, Singh DJ, Vashishta P. Efficient Discovery of Optimal N-Layered TMDC Hetero-Structures Mrs Advances. 3: 397-402. DOI: 10.1557/Adv.2018.260  0.237
2012 Biswas K, Du M, Singh DJ. Electronic structure and defect properties of Tl 6 SeI 4 : Density functional calculations Physical Review B. 86: 144108. DOI: 10.1103/Physrevb.86.144108  0.235
2016 Devender, Gehring P, Gaul A, Hoyer A, Vaklinova K, Mehta RJ, Burghard M, Borca-Tasciuc T, Singh DJ, Kern K, Ramanath G. Harnessing Topological Band Effects in Bismuth Telluride Selenide for Large Enhancements in Thermoelectric Properties through Isovalent Doping. Advanced Materials (Deerfield Beach, Fla.). PMID 27167512 DOI: 10.1002/Adma.201601256  0.234
2005 Gupta M, Singh DJ, Gupta R. Origin of the 20-electron structure ofMg3MnH7: Density functional calculations Physical Review B. 71. DOI: 10.1103/PHYSREVB.71.092107  0.234
2013 Singh DJ, Parker D. Itinerant magnetism in doped semiconducting β-FeSi₂ and CrSi₂. Scientific Reports. 3: 3517. PMID 24343332 DOI: 10.1038/srep03517  0.234
2018 Xing G, Sun J, Li Y, Fan X, Zheng W, Singh DJ. Thermoelectric properties of p-type cubic and rhombohedral GeTe Journal of Applied Physics. 123: 195105. DOI: 10.1063/1.5025070  0.234
2018 Putatunda A, Xing G, Sun J, Li Y, Singh DJ. Thermoelectric properties of layered NaSbSe2. Journal of Physics. Condensed Matter : An Institute of Physics Journal. PMID 29671750 DOI: 10.1088/1361-648X/aabf5b  0.233
2015 Shanavas KV, Singh DJ. Itinerant magnetism in metallic CuFe2Ge2. Plos One. 10: e0121186. PMID 25807140 DOI: 10.1371/journal.pone.0121186  0.232
2008 Subedi A, Zhang L, Singh DJ, Du MH. Density functional study of FeS, FeSe, and FeTe: Electronic structure, magnetism, phonons, and superconductivity Physical Review B - Condensed Matter and Materials Physics. 78. DOI: 10.1103/Physrevb.78.134514  0.229
1992 Singh DJ, Pickett WE. Electronic characteristics of Tl2Ba2CuO6. Fermi surface, positron wavefunction, electric field gradients, and transport parameters Physica C: Superconductivity and Its Applications. 203: 193-202. DOI: 10.1016/0921-4534(92)90526-I  0.228
2013 Saparov B, Singh DJ, Garlea VO, Sefat AS. Crystal, magnetic, and electronic structures, and properties of new BaMnPnF (Pn = As, Sb, Bi). Scientific Reports. 3: 2154. PMID 23831607 DOI: 10.1038/srep02154  0.228
2016 Li Q, Yan J, Yang B, Zang Y, Zhang J, He K, Wu M, Zhao Y, Mandrus D, Wang J, Xue Q, Chi L, Singh DJ, Pan M. Interference evidence for Rashba-type spin splitting on a semimetallic WT e2 surface Physical Review B - Condensed Matter and Materials Physics. 94. DOI: 10.1103/Physrevb.94.115419  0.228
2007 Singh DJ. Electronic and thermoelectric properties ofCuCoO2: Density functional calculations Physical Review B. 76. DOI: 10.1103/PhysRevB.76.085110  0.227
2015 Sun J, Shi H, Du M, Siegrist T, Singh DJ. Ba2TeO as an optoelectronic material: First-principles study Journal of Applied Physics. 117: 195705. DOI: 10.1063/1.4921585  0.227
2009 May AF, Singh DJ, Snyder GJ. Influence of band structure on the large thermoelectric performance of lanthanum telluride Physical Review B. 79. DOI: 10.1103/Physrevb.79.153101  0.226
2010 Subedi A, Singh DJ. Band structure and itinerant magnetism in quantum critical NbFe2 Physical Review B - Condensed Matter and Materials Physics. 81. DOI: 10.1103/PhysRevB.81.024422  0.226
2009 McGuire MA, Singh DJ, Sefat AS, Sales BC, Mandrus D. Suppression of spin density wave by isoelectronic substitution in PrFe1 - x Rux AsO Journal of Solid State Chemistry. 182: 2326-2331. DOI: 10.1016/j.jssc.2009.06.011  0.226
2010 Singh DJ. Electronic structure calculations with the Tran-Blaha modified Becke-Johnson density functional Physical Review B. 82. DOI: 10.1103/PhysRevB.82.205102  0.225
2011 Saparov B, Calder S, Sipos B, Cao H, Chi S, Singh DJ, Christianson AD, Lumsden MD, Sefat AS. Spin glass and semiconducting behavior in one-dimensional BaFe 2-δSe 3 (δ Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/Physrevb.84.245132  0.225
1998 Singh DJ, Mazin II, Feldman JL, Fornari M. Properties of Novel Thermoelectrics from First Principles Calculations Mrs Proceedings. 545. DOI: 10.1557/PROC-545-3  0.225
2020 Chen X, Duan S, Yi W, Singh DJ, Guo J, Liu X. Enhanced Thermoelectric Performance in Black Phosphorus Nanotubes by Band Modulation through Tailoring Nanotube Chirality. Small (Weinheim An Der Bergstrasse, Germany). e2001820. PMID 32521108 DOI: 10.1002/smll.202001820  0.224
2009 Sefat AS, Singh DJ, Vanbebber LH, Mozharivskyj Y, McGuire MA, Jin R, Sales BC, Keppens V, Mandrus D. Absence of superconductivity in hole-doped BaFe2-x Crx As2 single crystals Physical Review B - Condensed Matter and Materials Physics. 79. DOI: 10.1103/PhysRevB.79.224524  0.223
2013 Chen X, Parker D, Du M, Singh DJ. Potential thermoelectric performance of hole-doped Cu2O New Journal of Physics. 15: 43029. DOI: 10.1088/1367-2630/15/4/043029  0.223
2019 Xing G, Shang L, Fu Y, Ren W, Fan X, Zheng W, Singh DJ. Structural instability and magnetism of superconducting KCr3As3 Physical Review B. 99. DOI: 10.1103/Physrevb.99.174508  0.22
2015 Sun J, Shi H, Siegrist T, Singh DJ. Electronic, transport, and optical properties of bulk and mono-layer PdSe2 Applied Physics Letters. 107. DOI: 10.1063/1.4933302  0.22
2011 Xu B, Singh DJ, Cooper VR, Feng YP. Design of a low band gap oxide ferroelectric: Bi6Ti 4O17 Epl. 94. DOI: 10.1209/0295-5075/94/37006  0.219
2018 He X, Singh DJ, Boon-On P, Lee MW, Zhang L. Dielectric Behavior as a Screen in Rational Searches for Electronic Materials: Metal Pnictide Sulfosalts. Journal of the American Chemical Society. PMID 30516996 DOI: 10.1021/jacs.8b10685  0.219
2009 Singh DJ, Sefat AS, McGuire MA, Sales BC, Mandrus D, VanBebber LH, Keppens V. Itinerant antiferromagnetism inBaCr2As2: Experimental characterization and electronic structure calculations Physical Review B. 79. DOI: 10.1103/PHYSREVB.79.094429  0.219
2003 Singh D, Gupta M. Properties of the Magnetic Hydride YFe2H4 from First Principles Calculations Mrs Proceedings. 801. DOI: 10.1557/PROC-801-BB2.5  0.218
2017 Aragaw BA, Sun J, Singh DJ, Lee M. Ion exchange-prepared NaSbSe2 nanocrystals: electronic structure and photovoltaic properties of a new solar absorber material Rsc Adv.. 7: 45470-45477. DOI: 10.1039/C7RA06938C  0.216
2008 Mazin II, Johannes MD, Boeri L, Koepernik K, Singh DJ. Problems with reconciling density functional theory calculations with experiment in ferropnictides Physical Review B - Condensed Matter and Materials Physics. 78. DOI: 10.1103/Physrevb.78.085104  0.216
1995 Singh DJ, Pickett WE. Band structure of Bi2Sr2CuO6: Strong effects due to structural modulation Journal of Superconductivity. 8: 583-586. DOI: 10.1007/Bf00727431  0.215
1998 Muller DA, Singh DJ, Silcox J. Connections between the electron-energy-loss spectra, the local electronic structure, and the physical properties of a material: A study of nickel aluminum alloys Physical Review B. 57: 8181-8202. DOI: 10.1103/Physrevb.57.8181  0.215
2007 Singh DJ, Gupta M. Anomalous structural behavior and electronic structure inZrBe2Hx: Density functional calculations Physical Review B. 76. DOI: 10.1103/PHYSREVB.76.075120  0.215
2018 Paramekanti A, Singh DJ, Yuan B, Casa D, Said A, Kim Y, Christianson AD. Spin-orbit coupled systems in the atomic limit: rhenates, osmates, iridates Physical Review B. 97: 235119. DOI: 10.1103/Physrevb.97.235119  0.215
2016 Sun J, Singh DJ. Thermoelectric properties of n -type SrTiO3 Apl Materials. 4. DOI: 10.1063/1.4952610  0.214
2011 Avdeev M, Thorogood GJ, Carter ML, Kennedy BJ, Ting J, Singh DJ, Wallwork KS. Antiferromagnetism in a technetium oxide. Structure of CaTcO3. Journal of the American Chemical Society. 133: 1654-7. PMID 21268576 DOI: 10.1021/Ja109431T  0.214
2005 Johannes MD, Singh DJ. Crystal structure and electric field gradients of PbZrO3 from density functional calculations Physical Review B - Condensed Matter and Materials Physics. 71. DOI: 10.1103/Physrevb.71.212101  0.213
2008 Subedi A, Singh DJ. Density functional study ofBaNi2As2: Electronic structure, phonons, and electron-phonon superconductivity Physical Review B. 78. DOI: 10.1103/PhysRevB.78.132511  0.212
2013 Saparov B, Singh DJ, Garlea VO, Sefat AS. Erratum: CORRIGENDUM: Crystal, magnetic and electronic structures and properties of new BaMnPnF (Pn = As, Sb, Bi) Scientific Reports. 3. DOI: 10.1038/SREP03296  0.212
1995 Pickett WE, Singh DJ. New class of intermetallic borocarbide superconductors: Electron-phonon coupling and physical parameters Journal of Superconductivity. 8: 425-428. DOI: 10.1007/Bf00722821  0.212
2010 Du M, Singh DJ. Enhanced Born charges in III-VII, IV-VII2, and V-VII3 compounds Physical Review B. 82: 45203. DOI: 10.1103/Physrevb.82.045203  0.212
2009 Zhang L, Singh DJ. Density functional study of the electronic structure and magnetism of LaFeAsO alloyed with Zn Physical Review B. 80. DOI: 10.1103/PHYSREVB.80.214530  0.212
2020 Saparamadu U, Tan X, Sun J, Ren Z, Song S, Singh DJ, Shuai J, Jiang J, Ren Z. Achieving high-performance p-type SmMg2Bi2 thermoelectric materials through band engineering and alloying effects Journal of Materials Chemistry. 8: 15760-15766. DOI: 10.1039/C9Ta13224D  0.211
2019 Liu L, Sun Y, Cui X, Qi K, He X, Bao Q, Ma W, Lu J, Fang H, Zhang P, Zheng L, Yu L, Singh DJ, Xiong Q, Zhang L, et al. Bottom-up growth of homogeneous Moiré superlattices in bismuth oxychloride spiral nanosheets. Nature Communications. 10: 4472. PMID 31578330 DOI: 10.1038/S41467-019-12347-7  0.211
2021 Yao H, Chen C, Xue W, Bai F, Cao F, Lan Y, Liu X, Wang Y, Singh DJ, Lin X, Zhang Q. Vacancy ordering induced topological electronic transition in bulk EuZnSb. Science Advances. 7. PMID 33547075 DOI: 10.1126/sciadv.abd6162  0.211
1995 Pickett WE, Singh DJ. Magnetoelectronic and magnetostructural coupling in the lax_a.Caa.mno3 system Epl. 32: 759-764. DOI: 10.1209/0295-5075/32/9/010  0.21
2019 Xu S, Jia F, Yang Y, Qiao L, Hu S, Singh DJ, Ren W. Interplay of electronic, magnetic, and structural properties of GdB6 from first principles Physical Review B. 100. DOI: 10.1103/Physrevb.100.104408  0.21
1994 Singh DJ, Pickett WE. Electronic structure studies of doped and undoped HgBaCaCuO Physica C: Superconductivity and Its Applications. 235: 2113-2114. DOI: 10.1016/0921-4534(94)92277-2  0.21
2015 Parker DS, Ghimire N, Singleton J, Thompson JD, Bauer ED, Baumbach R, Mandrus D, Li L, Singh DJ. Magnetocrystalline anisotropy in UMn2Ge2 and related Mn-based actinide ferromagnets Physical Review B - Condensed Matter and Materials Physics. 91. DOI: 10.1103/Physrevb.91.174401  0.209
2012 Cao G, Korshunov MM, Gao Y, Le Tacon M, Singh DJ, Lin C. Anomalous in-plane electronic scattering in charge ordered Na0.41CoO2·0.6H2O. Physical Review Letters. 108: 236401. PMID 23003977 DOI: 10.1103/PhysRevLett.108.236401  0.209
2015 Besara T, Ramirez D, Sun J, Whalen JB, Tokumoto TD, McGill SA, Singh DJ, Siegrist T. Ba2TeO: A new layered oxytelluride Journal of Solid State Chemistry. 222: 60-65. DOI: 10.1016/J.Jssc.2014.11.003  0.208
1994 Singh DJ, Pickett WE. Pressure-dependent electronic structure and doping in HgBa2Ca2Cu3O8+δ Physica C: Superconductivity and Its Applications. 233: 237-241. DOI: 10.1016/0921-4534(94)90748-X  0.207
1997 Pickett WE, Singh DJ. Transport and fermiology of the ferromagnetic phase of La2/3A1/3MnO3 (A = Ca, Sr, Ba) Journal of Magnetism and Magnetic Materials. 172: 237-246.  0.207
2020 Ren Q, Fu C, Qiu Q, Dai S, Liu Z, Masuda T, Asai S, Hagihala M, Lee S, Torri S, Kamiyama T, He L, Tong X, Felser C, Singh DJ, et al. Establishing the carrier scattering phase diagram for ZrNiSn-based half-Heusler thermoelectric materials. Nature Communications. 11: 3142. PMID 32561856 DOI: 10.1038/S41467-020-16913-2  0.207
2019 Li R, Li X, Xi L, Yang J, Singh DJ, Zhang W. High-Throughput Screening for Advanced Thermoelectric Materials: Diamond-Like ABX Compounds. Acs Applied Materials & Interfaces. PMID 31025850 DOI: 10.1021/acsami.9b01196  0.206
1994 Golden MS, Knupfer M, Kielwein M, Buchgeister M, Fink J, Teehan D, Pickett WE, Singh DJ. A resonant-photoemission study of YNi2B2C Epl. 28: 369-374. DOI: 10.1209/0295-5075/28/5/013  0.206
2018 Liu Z, Sun J, Mao J, Zhu H, Ren W, Zhou J, Wang Z, Singh DJ, Sui J, Chu CW, Ren Z. Phase-transition temperature suppression to achieve cubic GeTe and high thermoelectric performance by Bi and Mn codoping. Proceedings of the National Academy of Sciences of the United States of America. PMID 29735697 DOI: 10.1073/Pnas.1802020115  0.204
2015 Huang HH, Fan X, Hu CQ, Singh DJ, Jiang Q, Zheng WT. Transformation of electronic properties and structural phase transition from HfN to Hf3N4. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 27: 225501. PMID 25985389 DOI: 10.1088/0953-8984/27/22/225501  0.204
2009 Reznik D, Lokshin K, Mitchell DC, Parshall D, Dmowski W, Lamago D, Heid R, Bohnen KP, Sefat AS, McGuire MA, Sales BC, Mandrus DG, Subedi A, Singh DJ, Alatas A, et al. Phonons in doped and undoped BaFe2 As2 investigated by inelastic x-ray scattering Physical Review B - Condensed Matter and Materials Physics. 80. DOI: 10.1103/Physrevb.80.214534  0.203
2016 Li Y, Bian G, Singh DJ. Identification and properties of the non-cubic phases of Mg2Pb Aip Advances. 6: 125108. DOI: 10.1063/1.4972957  0.203
2019 Li S, Zhu H, Mao J, Feng Z, Li X, Chen C, Cao F, Liu X, Singh DJ, Ren Z, Zhang Q. N-Type TaCoSn-Based Half-Heuslers as Promising Thermoelectric Materials. Acs Applied Materials & Interfaces. PMID 31609575 DOI: 10.1021/Acsami.9B13603  0.203
2017 Xing G, Sun J, Li Y, Fan X, Zheng W, Singh DJ. Electronic fitness function for screening semiconductors as thermoelectric materials Physical Review Materials. 1: 65405. DOI: 10.1103/Physrevmaterials.1.065405  0.203
2015 Ong KP, Fan X, Subedi A, Sullivan MB, Singh DJ. Transparent conducting properties of SrSnO3 and ZnSnO3 Apl Materials. 3. DOI: 10.1063/1.4919564  0.202
2019 Huang HH, Fan X, Singh DJ, Zheng WT. The thermal and thermoelectric transport properties of SiSb, GeSb and SnSb monolayers Journal of Materials Chemistry C. 7: 10652-10662. DOI: 10.1039/C9Tc02876E  0.202
2013 SINGH DJ, PARKER D. ELECTRONIC AND TRANSPORT PROPERTIES OF THERMOELECTRIC Ru2Si3 Functional Materials Letters. 6: 1340013. DOI: 10.1142/S1793604713400134  0.201
2014 Fan X, Zheng W, Chen X, Singh DJ. 2DEGs at perovskite interfaces between KTaO3 or KNbO3 and stannates. Plos One. 9: e91423. PMID 24626191 DOI: 10.1371/Journal.Pone.0091423  0.201
2010 Singh DJ, Du M. Properties of alkaline-earth-filled skutterudite antimonides: A(Fe,Ni)4Sb12 (A=Ca, Sr, and Ba) Physical Review B. 82: 75115. DOI: 10.1103/Physrevb.82.075115  0.2
2013 Chen X, Parker D, Singh DJ. Importance of non-parabolic band effects in the thermoelectric properties of semiconductors. Scientific Reports. 3: 3168. PMID 24196778 DOI: 10.1038/srep03168  0.2
2016 He X, Fu Y, Singh DJ, Zhang L. Stability, electronic structures and thermoelectric properties of binary Zn–Sb materials Journal of Materials Chemistry C. 4: 11305-11312. DOI: 10.1039/C6TC04553G  0.2
2000 Jones MD, Boettger JC, Albers RC, Singh DJ. Theoretical atomic volumes of the light actinides Physical Review B - Condensed Matter and Materials Physics. 61: 4644-4650. DOI: 10.1103/Physrevb.61.4644  0.199
2008 Singh DJ. Relationship ofLi2WO4to the scheelite tungstate scintillators: Electronic structure and atomic positions from density-functional calculations Physical Review B. 77. DOI: 10.1103/PHYSREVB.77.113101  0.199
1996 Böske T, Kielwein M, Knupfer M, Barman S, Behr G, Buchgeister M, Golden M, Fink J, Singh D, Pickett W. Core electron spectroscopic studies of YNi2B2C Solid State Communications. 98: 813-817. DOI: 10.1016/0038-1098(96)00133-0  0.198
2018 Taddei KM, Xing G, Sun J, Fu Y, Li Y, Zheng Q, Sefat AS, Singh DJ, de la Cruz C. Frustrated Structural Instability in Superconducting Quasi-One-Dimensional K_{2}Cr_{3}As_{3}. Physical Review Letters. 121: 187002. PMID 30444378 DOI: 10.1103/PhysRevLett.121.187002  0.198
2018 Besara T, Ramirez DC, Sun J, Falb NW, Lan W, Neu JN, Whalen JB, Singh DJ, Siegrist T. Synthesis and Crystal Structure of the Layered Lanthanide Oxychlorides Ba3Ln2O5Cl2. Inorganic Chemistry. PMID 29393626 DOI: 10.1021/Acs.Inorgchem.7B02265  0.198
1994 Julien J, Papaconstantopoulos D, Singh D, Pickett W, Cyrot-Lackmann F. Electronic structure of the BaA1-xBxO3 (A, B = Pb, Bi, Sn, Sb) alloy systems Physica C: Superconductivity. 220: 359-366. DOI: 10.1016/0921-4534(94)90924-5  0.197
1991 Berko S, Singh DJ, von Stetten EC. Positron annihilation in high critical temperature superconductors Journal of Physics and Chemistry of Solids. 52: 1485-1491. DOI: 10.1016/0022-3697(91)90131-I  0.197
2015 Shi H, Du MH, Singh DJ. Li2Se:Te as a neutron scintillator Journal of Alloys and Compounds. 647: 906-910. DOI: 10.1016/J.Jallcom.2015.06.184  0.197
2020 Zhang Y, Zhang W, Singh DJ. Localization in the SCAN meta-generalized gradient approximation functional leading to broken symmetry ground states for graphene and benzene. Physical Chemistry Chemical Physics : Pccp. 22: 19585-19591. PMID 32936177 DOI: 10.1039/d0cp03567j  0.196
2009 Zhang L, Singh DJ. Electronic structure and thermoelectric properties of layeredPbSe-WSe2materials Physical Review B. 80. DOI: 10.1103/PHYSREVB.80.075117  0.195
2019 Gaul A, Peng Q, Singh DJ, Borca-Tasciuc T, Ramanath G. Divalent doping-induced thermoelectric power factor increase in p-type Bi2Te3 via electronic structure tuning Journal of Applied Physics. 125: 165101. DOI: 10.1063/1.5081438  0.195
2018 Zhou J, Zhu H, Liu TH, Song Q, He R, Mao J, Liu Z, Ren W, Liao B, Singh DJ, Ren Z, Chen G. Large thermoelectric power factor from crystal symmetry-protected non-bonding orbital in half-Heuslers. Nature Communications. 9: 1721. PMID 29712891 DOI: 10.1038/S41467-018-03866-W  0.194
1996 Singh DJ. Phonons in La2CuO4: Local density calculations Solid State Communications. 98: 575-579. DOI: 10.1016/0038-1098(95)00827-6  0.194
2015 Fan X, Li M, Singh DJ, Jiang Q, Zheng W. Identification of a potential superhard compound ReCN Journal of Alloys and Compounds. 631: 321-327. DOI: 10.1016/J.Jallcom.2015.01.119  0.194
2016 Sreenivasa Reddy PV, Kanchana V, Vaitheeswaran G, Singh DJ. Predicted superconductivity of Ni2VAl and pressure dependence of superconductivity in Ni2NbX (X  =  Al, Ga and Sn) and Ni2VAl. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 28: 115703. PMID 26902514 DOI: 10.1088/0953-8984/28/11/115703  0.193
2008 An J, Subedi A, Singh DJ. Ab initio phonon dispersions for PbTe Solid State Communications. 148: 417-419. DOI: 10.1016/j.ssc.2008.09.027  0.192
2012 Du M, Biswas K, Singh DJ. Electronic structure, energy transport, and optical properties of halide scintillators Proceedings of Spie. 8507: 850705. DOI: 10.1117/12.929131  0.191
2008 Cao J, Musfeldt JL, Singh DJ, Rahaman B, Saha-Dasgupta T, Torardi CC, Sales BC, Christen HM, Swader O. Color properties of the model spin chain materialsVOHPO4⋅12H2Oand(VO)2P2O7: Spectroscopy and electronic structure calculations Physical Review B. 77. DOI: 10.1103/Physrevb.77.165111  0.19
2013 Chen X, Parker D, Ong KP, Du M, Singh DJ. High magnetocrystalline anisotropy in oxides with near cubic local environments Applied Physics Letters. 102: 102403. DOI: 10.1063/1.4795314  0.189
2005 Johannes MD, Mazin II, Singh DJ. Three-dimensional magnetic interactions in NaxCoO2: First-principles calculations and analysis of exchange mechanisms Physical Review B - Condensed Matter and Materials Physics. 71. DOI: 10.1103/Physrevb.71.214410  0.189
2019 Huang HH, Xing G, Fan X, Singh DJ, Zheng WT. Layered Tl2O: a model thermoelectric material Journal of Materials Chemistry C. 7: 5094-5103. DOI: 10.1039/C8Tc06601A  0.189
2006 Jellison GE, Paulauskas I, Boatner LA, Singh DJ. Optical functions ofKTaO3as determined by spectroscopic ellipsometry and comparison with band structure calculations Physical Review B. 74. DOI: 10.1103/PhysRevB.74.155130  0.189
2012 Mehta RJ, Zhang Y, Zhu H, Parker DS, Belley M, Singh DJ, Ramprasad R, Borca-Tasciuc T, Ramanath G. Seebeck and figure of merit enhancement in nanostructured antimony telluride by antisite defect suppression through sulfur doping. Nano Letters. 12: 4523-9. PMID 22891784 DOI: 10.1021/Nl301639T  0.188
1997 Singh DJ. Magnetism and electronic structure of (La,Ba)CoO3 (abstract) Journal of Applied Physics. 81: 4416-4416. DOI: 10.1063/1.364893  0.188
1993 Mehl MJ, Singh DJ, Papaconstantopoulos DA. Properties of ordered intermetallic alloys: first-principles and approximate methods Materials Science and Engineering a-Structural Materials Properties Microstructure and Processing. 170: 49-57. DOI: 10.1016/0921-5093(93)90368-O  0.188
2014 Sales BC, Saparov B, McGuire MA, Singh DJ, Parker DS. Ferromagnetism of Fe3Sn and alloys. Scientific Reports. 4: 7024. PMID 25387850 DOI: 10.1038/srep07024  0.188
2009 Quijano R, de Coss R, Singh DJ. Electronic structure and energetics of the tetragonal distortion forTiH2,ZrH2, andHfH2: A first-principles study Physical Review B. 80. DOI: 10.1103/PHYSREVB.80.184103  0.188
2018 Niu S, Sarkar D, Williams K, Zhou Y, Li Y, Bianco E, Huyan H, Cronin SB, McConney ME, Haiges R, Jaramillo R, Singh DJ, Tisdale WA, Kapadia R, Ravichandran J. Optimal Bandgap in a 2D Ruddlesden–Popper Perovskite Chalcogenide for Single-Junction Solar Cells Chemistry of Materials. 30: 4882-4886. DOI: 10.1021/Acs.Chemmater.8B01707  0.188
2008 Sefat AS, Jin R, McGuire MA, Sales BC, Singh DJ, Mandrus D. Superconductivity at 22 K in Co-doped BaFe2As2 crystals. Physical Review Letters. 101: 117004. PMID 18851319 DOI: 10.1103/PhysRevLett.101.117004  0.187
2011 Rodriguez EE, Poineau F, Llobet A, Kennedy BJ, Avdeev M, Thorogood GJ, Carter ML, Seshadri R, Singh DJ, Cheetham AK. High temperature magnetic ordering in the 4d perovskite SrTcO3. Physical Review Letters. 106: 067201. PMID 21405490 DOI: 10.1103/Physrevlett.106.067201  0.187
2012 Qiu P, Liu R, Yang J, Shi X, Huang XY, Zhang W, Chen L, Yang J, Singh DJ. Thermoelectric properties of Ni-doped CeFe4Sb12 skutterudites Journal of Applied Physics. 111: 23705. DOI: 10.1063/1.3677971  0.187
2017 Mukhopadhyay S, Bansal D, Delaire O, Perrodin D, Bourret-Courchesne E, Singh DJ, Lindsay L. The curious case of cuprous chloride: Giant thermal resistance and anharmonic quasiparticle spectra driven by dispersion nesting Physical Review B. 96. DOI: 10.1103/Physrevb.96.100301  0.186
2012 Zhang Q, Cao F, Lukas K, Liu W, Esfarjani K, Opeil C, Broido D, Parker D, Singh DJ, Chen G, Ren Z. Study of the thermoelectric properties of lead selenide doped with boron, gallium, indium, or thallium. Journal of the American Chemical Society. 134: 17731-8. PMID 23025440 DOI: 10.1021/Ja307910U  0.186
2000 Marzari N, Singh DJ. Ab initio determination of the dielectric response of GaAs, AlAs, C, and SrO in the weighted-density approximation Journal of Physics and Chemistry of Solids. 61: 321-325. DOI: 10.1016/S0022-3697(99)00301-7  0.185
2016 Norouzzadeh P, Singh DJ. Thermal conductivity of single-layer WSe2 by a Stillinger-Weber potential. Nanotechnology. PMID 28028249 DOI: 10.1088/1361-6528/Aa55E1  0.185
2017 Putatunda A, Singh DJ. On the ground state of TiO2 as predicted by all electron density functional calculations in relation to experiment The European Physical Journal B. 90. DOI: 10.1140/EPJB/E2017-80476-9  0.185
2013 Liu Y, Kumar A, Fan Z, Zhang Y, Ke Q, Zeng K, Wang J, Singh DJ, Ong KP. Ferroelectricity and dipole-dipole interactions in NH4TiOF3 mesocrystals Applied Physics Letters. 102: 232903. DOI: 10.1063/1.4809946  0.185
2011 Yang J, Qiu P, Liu R, Xi L, Zheng S, Zhang W, Chen L, Singh DJ, Yang J. Trends in Electrical Transport of p-type Skutterudites RFe4Sb12 (R-Na,K,Ca,Sr,Ba,La,Ce,Pr,Yb) from First Principles Calculations and Boltzmann Transport Theory Physical Review B. 84: 235205. DOI: 10.1103/Physrevb.84.235205  0.184
2018 Zeng J, He X, Liang SJ, Liu E, Sun Y, Pan C, Wang Y, Cao T, Liu X, Wang C, Zhang L, Yan S, Su G, Wang ZL, Watanabe K, ... ... Singh DJ, et al. Experimental identification of critical condition for drastically enhancing thermoelectric power factor of two-dimensional layered materials. Nano Letters. PMID 30480455 DOI: 10.1021/Acs.Nanolett.8B03026  0.183
2016 Li Y, Singh DJ, Du M, Xu Q, Zhang L, Zheng W, Ma Y. Design of ternary alkaline-earth metal Sn(II) oxides with potential good p-type conductivity Journal of Materials Chemistry C. 4: 4592-4599. DOI: 10.1039/C6Tc00996D  0.183
2016 Xing G, Sun J, Ong KP, Fan X, Zheng W, Singh DJ. Perspective: N -type oxide thermoelectrics via visual search strategies Apl Materials. 4. DOI: 10.1063/1.4941711  0.182
2007 Suewattana M, Singh DJ, Fornari M. Density functional calculations and analysis of the crystal structure ofPb2P2O7 Physical Review B. 75. DOI: 10.1103/PHYSREVB.75.172105  0.181
2017 Gaul A, Peng Q, Singh DJ, Ramanath G, Borca-Tasciuc T. Pressure-induced insulator-to-metal transitions for enhancing thermoelectric power factor in bismuth telluride-based alloys. Physical Chemistry Chemical Physics : Pccp. PMID 28485750 DOI: 10.1039/C7Cp01371J  0.181
2019 Taddei KM, Sanjeewa LD, Lei B, Fu Y, Zheng Q, Singh DJ, Sefat AS, dela Cruz C. Tuning from frustrated magnetism to superconductivity in quasi-one-dimensional KCr3As3 through hydrogen doping Physical Review B. 100. DOI: 10.1103/Physrevb.100.220503  0.181
2006 Kasinathan D, Singh DJ. Electronic structure of Cr-dopedSrRuO3: Supercell calculations Physical Review B. 74. DOI: 10.1103/PHYSREVB.74.195106  0.18
2012 Singh DJ. Electronic structure and fermiology of superconducting LaNiGa2 Physical Review B. 86. DOI: 10.1103/PhysRevB.86.174507  0.179
2014 Jood P, Mehta RJ, Zhang Y, Borca-Tasciuc T, Dou SX, Singh DJ, Ramanath G. Heavy element doping for enhancing thermoelectric properties of nanostructured zinc oxide Rsc Advances. 4: 6363-6368. DOI: 10.1039/C3Ra46813E  0.178
2019 Liu X, Chen X, Singh DJ, Stern RA, Wu J, Petitgirard S, Bina CR, Jacobsen SD. Boron-oxygen complex yields n-type surface layer in semiconducting diamond. Proceedings of the National Academy of Sciences of the United States of America. PMID 30936308 DOI: 10.1073/Pnas.1821612116  0.178
2008 Du M, Takenaka H, Singh DJ. Native defects and oxygen and hydrogen-related defect complexes in CdTe: Density functional calculations Journal of Applied Physics. 104: 93521. DOI: 10.1063/1.3000562  0.178
2000 Marzari N, Singh DJ. Dielectric response of oxides in the weighted density approximation Physical Review B - Condensed Matter and Materials Physics. 62: 12724-12729. DOI: 10.1103/Physrevb.62.12724  0.177
2012 Ekuma CE, Singh DJ, Moreno J, Jarrell M. Optical properties of PbTe and PbSe Physical Review B. 85: 85205. DOI: 10.1103/Physrevb.85.085205  0.177
2017 Mannebach EM, Nyby C, Ernst F, Zhou Y, Tolsma J, Li Y, Sher MJ, Tung IC, Zhou H, Zhang Q, Seyler K, Clark G, Lin Y, Zhu D, Glownia JM, ... ... Singh DJ, et al. Dynamic optical tuning of interlayer interactions in the transition metal dichalcogenides. Nano Letters. PMID 29119791 DOI: 10.1021/Acs.Nanolett.7B03955  0.176
1993 Singh DJ, Krakauer H, Haas C, Pickett WE. Theoretical determination that electrons act as anions in the electride Cs+ (15-crown-5)2·e- Nature. 365: 39-42. DOI: 10.1038/365039A0  0.176
2010 Zhang L, Singh DJ. Electronic structure and thermoelectric properties:PbBi2Te4and related intergrowth compounds Physical Review B. 81. DOI: 10.1103/PHYSREVB.81.245119  0.175
2011 Ke X, Peng J, Singh DJ, Hong T, Tian W, Dela Cruz CR, Mao ZQ. Emergent electronic and magnetic state in Ca3Ru2O7induced by Ti doping Physical Review B. 84. DOI: 10.1103/Physrevb.84.201102  0.174
2005 Singh DJ, Ghita M, Halilov SV, Fornari M. The role of Pb in piezoelectrics and possible substitutions for it Journal De Physique Iv. 128: 47-53. DOI: 10.1051/Jp4:2005128008  0.174
2015 Shi H, Parker D, Du MH, Singh DJ. Connecting thermoelectric performance and topological-insulator behavior: Bi2Te3 and Bi2Te2Se from first principles Physical Review Applied. 3. DOI: 10.1103/Physrevapplied.3.014004  0.173
1997 Singh DJ. Magnetic and electronic properties ofLiMnO2s Physical Review B. 55: 309-312. DOI: 10.1103/PHYSREVB.55.309  0.173
2010 Patschke R, Zhang X, Singh D, Schindler J, Kannewurf CR, Lowhorn N, Tritt T, Nolas GS, Kanatzidis MG. ChemInform Abstract: Thermoelectric Properties and Electronic Structure of the Cage Compounds A2BaCu8Te10 (A: K, Rb, Cs): Systems with Low Thermal Conductivity. Cheminform. 32: no-no. DOI: 10.1002/chin.200124011  0.173
1999 Drăgulescu A, Yakovenko VM, Singh DJ. Theory of angular magnetoresistance oscillations inTl2Ba2CuO6 Physical Review B. 60: 6312-6315. DOI: 10.1103/Physrevb.60.6312  0.173
2007 Singh DJ. Antisite defects and traps in perovskiteYAlO3andLuAlO3: Density functional calculations Physical Review B. 76. DOI: 10.1103/PhysRevB.76.214115  0.173
2012 Suewattana M, Singh DJ, Limpijumnong S. Crystal structure and cation off-centering in Bi(Mg 1 / 2 Ti 1 / 2 )O 3 Physical Review B. 86: 64105. DOI: 10.1103/Physrevb.86.064105  0.173
2006 Suewattana M, Singh DJ. Electronic structure and lattice distortions inPbMg1∕3Nb2∕3O3studied with density functional theory using the linearized augmented plane-wave method Physical Review B. 73. DOI: 10.1103/PHYSREVB.73.224105  0.173
2020 Iasir ARM, Lombardi T, Lu Q, Mofrad AM, Vaninger M, Zhang X, Singh DJ. Electronic and magnetic properties of perovskite selenite and tellurite compounds: CoSeO3, NiSeO3, CoTeO3 , and NiTeO3 Physical Review B. 101. DOI: 10.1103/PhysRevB.101.045107  0.173
2011 Xu B, Cooper VR, Singh DJ, Feng YP. Relationship between bond stiffness and electrical energy storage capacity in oxides: Density functional calculations for h-La2O3, MgO, and BeO Physical Review B - Condensed Matter and Materials Physics. 83. DOI: 10.1103/Physrevb.83.064115  0.172
2015 Xing G, Fan X, Zheng W, Ma Y, Shi H, Singh DJ. Magnetism in Na-filled Fe-based skutterudites. Scientific Reports. 5: 10782. PMID 26027504 DOI: 10.1038/Srep10782  0.172
2006 Madsen GKH, Singh DJ. BoltzTraP. A code for calculating band-structure dependent quantities Computer Physics Communications. 175: 67-71. DOI: 10.1016/j.cpc.2006.03.007  0.171
2006 Singh DJ, Rai RC, Musfeldt JL, Auluck S, Singh N, Khalifah P, McClure S, Mandrus DG. Optical Properties and Electronic Structure of Spinel ZnRh2O4 Chemistry of Materials. 18: 2696-2700. DOI: 10.1021/cm060160v  0.17
2013 Singh DJ. Electronic structure and upper critical field of superconducting Ta2PdS5 Physical Review B. 88. DOI: 10.1103/PhysRevB.88.174508  0.17
2020 Huang HH, Fan X, Singh DJ, Zheng WT. Recent progress of TMD nanomaterials: phase transitions and applications. Nanoscale. PMID 31912836 DOI: 10.1039/C9Nr08313H  0.17
2016 Fu Y, Singh DJ, Li W, Zhang L. Intrinsic ultralow lattice thermal conductivity of the unfilled skutterudite FeSb3 Physical Review B - Condensed Matter and Materials Physics. 94. DOI: 10.1103/PhysRevB.94.075122  0.17
2008 Kagimura R, Suewattana M, Singh DJ. (Ba,K,La)ZrO3as a possible lead-free ferroelectric: Density functional calculations Physical Review B. 78. DOI: 10.1103/PHYSREVB.78.012103  0.17
2013 Cao H, Chakoumakos BC, Chen X, Yan J, McGuire MA, Yang H, Custelcean R, Zhou H, Singh DJ, Mandrus D. Origin of the phase transition in IrTe2: Structural modulation and local bonding instability Physical Review B - Condensed Matter and Materials Physics. 88. DOI: 10.1103/Physrevb.88.115122  0.17
2016 Fan X, Zheng WT, Kuo JL, Singh DJ, Sun CQ, Zhu W. Modulation of electronic properties from stacking orders and spin-orbit coupling for 3R-type MoS2. Scientific Reports. 6: 24140. PMID 27053462 DOI: 10.1038/Srep24140  0.169
2018 Fu Y, Singh DJ. Applicability of the Strongly Constrained and Appropriately Normed Density Functional to Transition-Metal Magnetism. Physical Review Letters. 121: 207201. PMID 30500246 DOI: 10.1103/PhysRevLett.121.207201  0.169
2010 Egami T, Fine BV, Parshall D, Subedi A, Singh DJ. Spin-Lattice coupling and superconductivity in Fe pnictides Advances in Condensed Matter Physics. 2010. DOI: 10.1155/2010/164916  0.169
2011 May AF, McGuire MA, Singh DJ, Custelcean R, Jellison GE. Structure and properties of single crystalline CaMg2Bi2, EuMg2Bi2, and YbMg2Bi2. Inorganic Chemistry. 50: 11127-33. PMID 21999768 DOI: 10.1021/Ic2016808  0.168
2023 Cheng X, Xu S, Hu T, Hu S, Gao H, Singh DJ, Ren W. First-principles predictions of room-temperature ferromagnetism in orthorhombic MnX (X = O, S) monolayers. Physical Chemistry Chemical Physics : Pccp. PMID 37850421 DOI: 10.1039/d3cp03143h  0.168
2016 Mukhopadhyay S, Lindsay L, Singh DJ. Optic phonons and anisotropic thermal conductivity in hexagonal Ge2Sb2Te5. Scientific Reports. 6: 37076. PMID 27848985 DOI: 10.1038/Srep37076  0.167
2017 Liu T, Zhou J, Liao B, Singh DJ, Chen G. First-principles mode-by-mode analysis for electron-phonon scattering channels and mean free path spectra in GaAs Physical Review B. 95. DOI: 10.1103/Physrevb.95.075206  0.165
1999 Fornari M, Singh DJ. Electronic structure and thermoelectric prospects of phosphide skutterudites Physical Review B. 59: 9722-9724. DOI: 10.1103/PhysRevB.59.9722  0.165
2011 Takagi S, Cooper VR, Singh DJ. Cooperative behavior of Zn cations in Bi-based perovskites: A comparison of (Bi,Sr)2ZnNbO6 and (Bi,Sr)2MgNbO6 Physical Review B - Condensed Matter and Materials Physics. 83. DOI: 10.1103/Physrevb.83.115130  0.165
2021 Zhang X, Lu Q, Liu W, Niu W, Sun J, Cook J, Vaninger M, Miceli PF, Singh DJ, Lian SW, Chang TR, He X, Du J, He L, Zhang R, et al. Room-temperature intrinsic ferromagnetism in epitaxial CrTe ultrathin films. Nature Communications. 12: 2492. PMID 33941773 DOI: 10.1038/s41467-021-22777-x  0.164
1996 Singh DJ. Electronic and magnetic properties of the 4d itinerant ferromagnet SrRuO3 Journal of Applied Physics. 79: 4818. DOI: 10.1063/1.361618  0.164
2015 Singh DJ. Electronic structure and the origin of the high ordering temperature inSrRu2O6 Physical Review B. 91. DOI: 10.1103/PhysRevB.91.214420  0.164
2019 Sun X, Li X, Yang J, Xi J, Nelson R, Ertural C, Dronskowski R, Liu W, Snyder GJ, Singh DJ, Zhang W. Achieving band convergence by tuning the bonding ionicity in n-type Mg Sb. Journal of Computational Chemistry. PMID 30889285 DOI: 10.1002/Jcc.25822  0.164
2013 Du M, Singh DJ. First-principles study of electronic structure, defects, and activators in LiCaAlF6 Proceedings of Spie. 8852: 885205. DOI: 10.1117/12.2022864  0.164
2020 Mukhopadhyay S, Singh DJ, Reinecke TL. Ultralow Thermal Conductivity in Cs–Sb–Se Compounds: Lattice Instability versus Lone-Pair Electrons Chemistry of Materials. 32: 8906-8913. DOI: 10.1021/acs.chemmater.0c02688  0.163
2010 Zhang L, Singh DJ. Electronic structure ofCsFe2Sb2and its alloy with cobalt: A magnetic compound related to the iron superconductors Physical Review B. 81. DOI: 10.1103/PHYSREVB.81.193102  0.163
2016 Sun J, Singh DJ. Thermoelectric Properties of Mg2 (Ge,Sn): Model and Optimization of ZT Physical Review Applied. 5. DOI: 10.1103/PhysRevApplied.5.024006  0.163
2012 Parker D, Singh DJ. Very heavily electron-doped CrSi2as a high-performance high-temperature thermoelectric material New Journal of Physics. 14: 033045. DOI: 10.1088/1367-2630/14/3/033045  0.163
2019 Zhu H, Mao J, Li Y, Sun J, Wang Y, Zhu Q, Li G, Song Q, Zhou J, Fu Y, He R, Tong T, Liu Z, Ren W, You L, ... ... Singh DJ, et al. Discovery of TaFeSb-based half-Heuslers with high thermoelectric performance. Nature Communications. 10: 270. PMID 30655512 DOI: 10.1038/S41467-018-08223-5  0.162
2018 Zhu H, He R, Mao J, Zhu Q, Li C, Sun J, Ren W, Wang Y, Liu Z, Tang Z, Sotnikov A, Wang Z, Broido D, Singh DJ, Chen G, et al. Discovery of ZrCoBi based half Heuslers with high thermoelectric conversion efficiency. Nature Communications. 9: 2497. PMID 29950678 DOI: 10.1038/S41467-018-04958-3  0.162
2013 Parker D, May AF, Wang H, McGuire MA, Sales BC, Singh DJ. Electronic and thermoelectric properties of CoSbS and FeSbS Physical Review B - Condensed Matter and Materials Physics. 87. DOI: 10.1103/PhysRevB.87.045205  0.162
2020 Fumega AO, Fu Y, Pardo V, Singh DJ. Understanding the lattice thermal conductivity of SrTiO 3 from an ab initio perspective Physical Review Materials. 4: 33606. DOI: 10.1103/Physrevmaterials.4.033606  0.162
2000 Singh DJ. Electronic structure ofNaCo2O4 Physical Review B. 61: 13397-13402. DOI: 10.1103/PHYSREVB.61.13397  0.162
1993 Singh DJ. Electronic structure of HgBa2CuO4 Physica C: Superconductivity. 212: 228-232. DOI: 10.1016/0921-4534(93)90508-N  0.162
2011 Yedukondalu N, Babu KR, Bheemalingam C, Singh DJ, Vaitheeswaran G, Kanchana V. Electronic structure, optical properties, and bonding in alkaline-earth halofluoride scintillators: BaClF, BaBrF, and BaIF Physical Review B. 83. DOI: 10.1103/PHYSREVB.83.165117  0.161
2012 Sales BC, May AF, McGuire MA, Stone MB, Singh DJ, Mandrus D. Transport, thermal, and magnetic properties of the narrow-gap semiconductor CrSb2 Physical Review B - Condensed Matter and Materials Physics. 86. DOI: 10.1103/PhysRevB.86.235136  0.161
2021 Chen C, Feng Z, Yao H, Cao F, Lei BH, Wang Y, Chen Y, Singh DJ, Zhang Q. Intrinsic nanostructure induced ultralow thermal conductivity yields enhanced thermoelectric performance in Zintl phase EuZnSb. Nature Communications. 12: 5718. PMID 34588464 DOI: 10.1038/s41467-021-25483-w  0.161
2010 Suewattana M, Singh DJ. Local dynamics and structure of pure and Ta substituted(K1−xNax)NbO3from first principles calculations Physical Review B. 82. DOI: 10.1103/PHYSREVB.82.014114  0.161
2012 Du M, Biswas K, Singh DJ. Resistivity, carrier trapping, and polarization phenomenon in semiconductor radiation detection materials Proceedings of Spie. 8507. DOI: 10.1117/12.930072  0.161
1994 Jansen SA, Singh DJ, Wang SH. Cluster fragmentation and orbital analysis: A theoretical study of cohesive interactions and electronic properties of polyoxometalates with the Keggin structure Chemistry of Materials. 6: 146-155. DOI: 10.1021/Cm00038A009  0.16
2011 Marty K, Christianson AD, Wang CH, Matsuda M, Cao H, VanBebber LH, Zarestky JL, Singh DJ, Sefat AS, Lumsden MD. Competing magnetic ground states in nonsuperconducting Ba(Fe1−xCrx)2As2as seen via neutron diffraction Physical Review B. 83. DOI: 10.1103/Physrevb.83.060509  0.159
2017 Xing G, Li Y, Fan X, Zhang L, Zheng W, Singh DJ. Sn2Se3: A conducting crystalline mixed valent phase change memory compound Journal of Applied Physics. 121: 225106. DOI: 10.1063/1.4985247  0.159
2016 Besara T, Rhodes DA, Chen KW, Das S, Zhang QR, Sun J, Zeng B, Xin Y, Balicas L, Baumbach RE, Manousakis E, Singh DJ, Siegrist T. Coexistence of Weyl physics and planar defects in the semimetals TaP and TaAs Physical Review B - Condensed Matter and Materials Physics. 93. DOI: 10.1103/Physrevb.93.245152  0.159
2021 Lei B, Singh DJ. Multigap electron-phonon superconductivity in the quasi-one-dimensional pnictide K2Mo3As3 Physical Review B. 103. DOI: 10.1103/PhysRevB.103.094512  0.159
2017 Bian G, Chang T, Huang A, Li Y, Jeng H, Singh DJ, Cava RJ, Xie W. Prediction of nontrivial band topology and superconductivity in Mg2Pb Physical Review Materials. 1. DOI: 10.1103/Physrevmaterials.1.021201  0.158
2019 Fang T, Li X, Hu C, Zhang Q, Yang J, Zhang W, Zhao X, Singh DJ, Zhu T. Complex Band Structures and Lattice Dynamics of Bi 2 Te 3 ‐Based Compounds and Solid Solutions Advanced Functional Materials. 29: 1900677. DOI: 10.1002/ADFM.201900677  0.158
1996 Singh DJ. Electronic properties of YNi2B2C Solid State Communications. 98: 899-902. DOI: 10.1016/0038-1098(95)00828-4  0.158
2007 Xiang HJ, Singh DJ. Suppression of thermopower ofNaxCoO2by an external magnetic field: Boltzmann transport combined with spin-polarized density functional theory Physical Review B. 76. DOI: 10.1103/PHYSREVB.76.195111  0.158
2017 Mao J, Shuai J, Song S, Wu Y, Dally R, Zhou J, Liu Z, Sun J, Zhang Q, Dela Cruz C, Wilson S, Pei Y, Singh DJ, Chen G, Chu CW, et al. Manipulation of ionized impurity scattering for achieving high thermoelectric performance in n-type Mg3Sb2-based materials. Proceedings of the National Academy of Sciences of the United States of America. PMID 28923974 DOI: 10.1073/Pnas.1711725114  0.158
2008 Singh DJ. Near optical isotropy in noncubic SrI2: Density functional calculations Applied Physics Letters. 92: 201908. DOI: 10.1063/1.2936079  0.157
2018 Xu S, Fan X, Liu J, Singh DJ, Jiang Q, Zheng W. Adsorption of Li on single-layer silicene for anodes of Li-ion batteries. Physical Chemistry Chemical Physics : Pccp. PMID 29547213 DOI: 10.1039/C7Cp08036K  0.156
2001 Singh DJ. Theoretical Considerations for Finding New Thermoelectric Materials Mrs Proceedings. 691. DOI: 10.1557/PROC-691-G1.2  0.156
2019 Vilmercati P, Kim Y, Mo S, McGuire M, Sales B, Mandrus D, Ku W, Sangaletti L, Singh DJ, Mannella N. Doping dependence of the magnitude of fluctuating spin moments in the normal state of the pnictide superconductor Sr(Fe1−xCox)2As2 inferred from photoemission spectroscopy Physical Review B. 99. DOI: 10.1103/PHYSREVB.99.155132  0.156
2008 Du M, Takenaka H, Singh DJ. Carrier compensation in semi-insulating CdTe: First-principles calculations Physical Review B. 77: 94122. DOI: 10.1103/Physrevb.77.094122  0.156
2019 Falb NW, Neu JN, Besara T, Whalen JB, Singh DJ, Siegrist T. BaCrNH: A New Nitride-Hydride with Trigonal Planar Cr. Inorganic Chemistry. PMID 30762348 DOI: 10.1021/Acs.Inorgchem.8B03367  0.155
2013 Fongkaew I, T-Thienprasert J, Singh DJ, Du M, Limpijumnong S. First principles calculations of Hydrogen--Titanium vacancy complexes in SrTiO3 Ceramics International. 39. DOI: 10.1016/J.Ceramint.2012.10.076  0.155
2008 Singh DJ. Band structure and thermopower of dopedYCuO2 Physical Review B. 77. DOI: 10.1103/PHYSREVB.77.205126  0.155
2011 Singh DJ. Electronic Transport in Old and New Thermoelectric Materials Science of Advanced Materials. 3: 561-570. DOI: 10.1166/SAM.2011.1183  0.155
2006 Singh DJ, Ghita M, Fornari M, Halilov SV. Role of A-site and B-site ions in perovskite ferroelectricity Ferroelectrics. 338: 73-79. DOI: 10.1080/00150190600732694  0.155
2010 Singh DJ. Doping-dependent thermopower of PbTe from Boltzmann transport calculations Physical Review B. 81. DOI: 10.1103/PHYSREVB.81.195217  0.154
2019 Krishnamoorthy A, Rajak P, Norouzzadeh P, Singh DJ, Kalia RK, Nakano A, Vashishta P. Thermal conductivity of MoS2 monolayers from molecular dynamics simulations Aip Advances. 9: 035042. DOI: 10.1063/1.5085336  0.153
2011 McGuire MA, May AF, Singh DJ, Du MH, Jellison GE. Transport and optical properties of heavily hole-doped semiconductors BaCu 2Se 2 and BaCu 2Te 2 Journal of Solid State Chemistry. 184: 2744-2750. DOI: 10.1016/J.Jssc.2011.08.021  0.153
2011 May AF, McGuire MA, Singh DJ, Custelcean R, Jellison GEJ. ChemInform Abstract: Structure and Properties of Single Crystalline CaMg2Bi2, EuMg2Bi2, and YbMg2Bi2. Cheminform. 43: no-no. DOI: 10.1002/CHIN.201204006  0.152
2014 Parker D, Singh DJ. High temperature thermoelectric properties of rock-salt structure PbS Solid State Communications. 182: 34-37. DOI: 10.1016/J.SSC.2013.12.008  0.152
2006 Singh DJ, Jellison GE, Boatner LA. Electronic structure of Pb- and non-Pb-based phosphate scintillators Physical Review B. 74. DOI: 10.1103/PHYSREVB.74.155126  0.151
2016 Niu S, Huyan H, Liu Y, Yeung M, Ye K, Blankemeier L, Orvis T, Sarkar D, Singh DJ, Kapadia R, Ravichandran J. Bandgap Control via Structural and Chemical Tuning of Transition Metal Perovskite Chalcogenides. Advanced Materials (Deerfield Beach, Fla.). PMID 28004864 DOI: 10.1002/Adma.201604733  0.149
2015 Xi L, Qiu Y, Zheng S, Shi X, Yang J, Chen L, Singh DJ, Yang J, Zhang W. Complex doping of group 13 elements In and Ga in caged skutterudite CoSb3 Acta Materialia. 85: 112-121. DOI: 10.1016/J.Actamat.2014.11.022  0.149
2020 Xing G, Li Y, Feng Z, Singh DJ, Pauly F. Copper(I)-Based Flexible Organic-Inorganic Coordination Polymer and Analogues: High-Power Factor Thermoelectrics. Acs Applied Materials & Interfaces. PMID 33213136 DOI: 10.1021/acsami.0c17148  0.149
2015 Gudelli VK, Kanchana V, Vaitheeswaran G, Singh DJ, Svane A, Christensen NE, Mahanti SD. Electronic structure, transport, and phonons ofSrAgChF(Ch = S, Se, Te): Bulk superlattice thermoelectrics Physical Review B. 92. DOI: 10.1103/PhysRevB.92.045206  0.149
2014 Li Q, Lin W, Yan J, Chen X, Gianfrancesco AG, Singh DJ, Mandrus D, Kalinin SV, Pan M. Bond competition and phase evolution on the IrTe₂ surface. Nature Communications. 5: 5358. PMID 25377130 DOI: 10.1038/Ncomms6358  0.148
2012 Parker D, Singh DJ. Thermoelectric properties of AgGaTe2and related chalcopyrite structure materials Physical Review B. 85. DOI: 10.1103/PhysRevB.85.125209  0.147
2016 Fan X, Singh DJ, Zheng W. Valence Band Splitting on Multilayer MoS2: Mixing of Spin-Orbit Coupling and Interlayer Coupling. The Journal of Physical Chemistry Letters. PMID 27225320 DOI: 10.1021/Acs.Jpclett.6B00693  0.147
2019 Feng Z, Fu Y, Putatunda A, Zhang Y, Singh DJ. Electronic structure as a guide in screening for potential thermoelectrics: Demonstration for half-Heusler compounds Physical Review B. 100. DOI: 10.1103/PHYSREVB.100.085202  0.146
2010 Subedi A, Singh DJ. Erratum: Band structure and itinerant magnetism in quantum criticalNbFe2[Phys. Rev. B81, 024422 (2010)] Physical Review B. 81. DOI: 10.1103/PHYSREVB.81.059902  0.146
2023 Gao Y, Roldan MA, Qiao L, Mandrus D, Shen X, Chisholm MF, Singh DJ, Cao G. Vertical nanoscale strain-induced electronic localization in epitaxial LaSrMnO films with ZrO nanopillar inclusions. Nano Convergence. 10: 35. PMID 37505327 DOI: 10.1186/s40580-023-00382-6  0.146
1995 Singh DJ, Pickett WE. Unusual oxygen doping behavior in Hg cuprates and its pressure dependence Journal of Superconductivity. 8: 769-771. DOI: 10.1007/Bf00727502  0.144
2012 Du M, Singh DJ. Electronic structure, small polaron, and F center in LiCaAlF6 Journal of Applied Physics. 112: 123516. DOI: 10.1063/1.4770469  0.144
1990 Broughton J, Pederson M, Papaconstantopoulos D, Singh D. GaAs Total Energy Tight Binding Hamiltonians for use in Molecular Dynamics Mrs Proceedings. 193. DOI: 10.1557/Proc-193-219  0.144
1989 Singh D, Krakauer H. Electronic structure and bonding of the Cu/W(001) surface alloy Surface Science. 216: 303-310. DOI: 10.1016/0039-6028(89)90659-6  0.144
2008 Takenaka H, Singh DJ. Full-potential all-electron positron lifetime calculations: Assessment of local enhancement factors Physical Review B. 77. DOI: 10.1103/PHYSREVB.77.155132  0.144
2017 Man H, Guo J, Zhang R, Schönemann R, Yin Z, Fu M, Stone MB, Huang Q, Song Y, Wang W, Singh DJ, Lochner F, Hickel T, Eremin I, Harriger L, et al. Spin excitations and the Fermi surface of superconducting FeS Npj Quantum Materials. 2. DOI: 10.1038/S41535-017-0019-6  0.144
2018 Huang HH, Fan X, Singh DJ, Zheng WT. First principles study on 2H-1T' transition in MoS with copper. Physical Chemistry Chemical Physics : Pccp. PMID 30328445 DOI: 10.1039/C8Cp05445B  0.144
2007 Rai RC, Cao J, Vergara LI, Brown S, Musfeldt JL, Singh DJ, Lawes G, Rogado N, Cava RJ, Wei X. High-energy magnetodielectric effect in kagome staircase materials Physical Review B - Condensed Matter and Materials Physics. 76. DOI: 10.1103/Physrevb.76.174414  0.143
2022 Lu Q, Le C, Zhang X, Cook J, He X, Zarenia M, Vaninger M, Miceli PF, Singh DJ, Liu C, Qin H, Chiang TC, Chiu CK, Vignale G, Bian G. Dirac Fermion Cloning, Moiré Flat Bands and Magic Lattice Constants in Epitaxial Monolayer Graphene. Advanced Materials (Deerfield Beach, Fla.). e2200625. PMID 35446987 DOI: 10.1002/adma.202200625  0.143
2021 Huang HH, Fan X, Zheng WT, Singh DJ. Improved thermoelectric transport properties of Ge4Se3Te through dimensionality reduction Journal of Materials Chemistry C. 9: 1804-1813. DOI: 10.1039/d0tc04537c  0.143
1997 Pickett WE, Singh DJ. Chemical disorder and charge transport in ferromagnetic manganites Physical Review B - Condensed Matter and Materials Physics. 55. DOI: 10.1103/Physrevb.55.R8642  0.142
2007 Fornari M, Subedi A, Singh DJ. Structure and dynamics of perovskite hydrides AMg H3 (A=Na, K, Rb) in relation to the corresponding fluorides: A first-principles study Physical Review B - Condensed Matter and Materials Physics. 76. DOI: 10.1103/PhysRevB.76.214118  0.142
2016 Fan X, Singh DJ, Jiang Q, Zheng WT. Pressure evolution of the potential barriers of phase transition of MoS2, MoSe2 and MoTe2. Physical Chemistry Chemical Physics : Pccp. PMID 27074155 DOI: 10.1039/c6cp00715e  0.141
2020 Li X, Sheng Y, Wu L, Hu S, Yang J, Singh DJ, Yang J, Zhang W. Defect-mediated Rashba engineering for optimizing electrical transport in thermoelectric BiTeI Npj Computational Materials. 6. DOI: 10.1038/s41524-020-00378-4  0.141
2011 McGuire MA, May AF, Singh DJ, Du M, Jellison GE. ChemInform Abstract: Transport and Optical Properties of Heavily Hole-Doped Semiconductors BaCu2Se2and BaCu2Te2. Cheminform. 43: no-no. DOI: 10.1002/CHIN.201203005  0.14
2009 Du M, Takenaka H, Singh DJ. First-principles study of defects and carrier compensation in semiconductor radiation detector materials Mrs Proceedings. 1164. DOI: 10.1557/Proc-1164-L08-02  0.14
2021 Lei B, Singh DJ. Ferromagnetism in a Semiconductor with Mobile Carriers via Low-Level Nonmagnetic Doping Physical Review Applied. 15. DOI: 10.1103/PhysRevApplied.15.044036  0.14
2018 Li Y, Singh DJ. Tunability of electronic and optical properties of the Ba–Zr–S system via dimensional reduction The European Physical Journal B. 91. DOI: 10.1140/epjb/e2018-90125-6  0.14
2020 Liu H, Wu H, Ong KP, Yang T, Yang P, Das PK, Chi X, Zhang Y, Diao C, Wong WKA, Chew EP, Chen YF, Tan CKI, Rusydi A, Breese MBH, ... Singh DJ, et al. Giant piezoelectricity in oxide thin films with nanopillar structure. Science (New York, N.Y.). 369: 292-297. PMID 32675370 DOI: 10.1126/Science.Abb3209  0.14
2016 Singh DJ. Optical and electronic properties of semiconducting Sn2S3 Applied Physics Letters. 109: 032102. DOI: 10.1063/1.4959104  0.139
2017 Xing G, Sun J, Li Y, Fan X, Zheng W, Singh DJ. Erratum: Electronic fitness function for screening semiconductors as thermoelectric materials [Phys. Rev. Materials 1 , 065405 (2017)] Physical Review Materials. 1. DOI: 10.1103/Physrevmaterials.1.079901  0.138
2016 Mukhopadhyay S, Sun J, Subedi A, Siegrist T, Singh DJ. Competing covalent and ionic bonding in Ge-Sb-Te phase change materials. Scientific Reports. 6: 25981. PMID 27193531 DOI: 10.1038/Srep25981  0.138
2012 Singh DJ. Superconductivity and magnetism in 11-structure iron chalcogenides in relation to the iron pnictides. Science and Technology of Advanced Materials. 13: 054304. PMID 27877517 DOI: 10.1088/1468-6996/13/5/054304  0.138
2005 Gupta M, Gupta RP, Singh DJ. Origin of the anomalous absence of hydride formation by ZrPd2. Physical Review Letters. 95: 056403. PMID 16090897 DOI: 10.1103/PHYSREVLETT.95.056403  0.138
1999 Mazin II, Singh DJ, Ambrosch-Draxl C. Transport, optical and electronic properties of the half metal CrO2 Journal of Applied Physics. 85: 6220-6222. DOI: 10.1063/1.370227  0.138
2013 Parker D, Chen X, Singh DJ. High three-dimensional thermoelectric performance from low-dimensional bands. Physical Review Letters. 110: 146601. PMID 25167018 DOI: 10.1103/PhysRevLett.110.146601  0.138
2003 Madsen GKH, Schwarz K, Blaha P, Singh DJ. Electronic structure and transport in type-I and type-VIII clathrates containing strontium, barium, and europium Physical Review B. 68. DOI: 10.1103/PHYSREVB.68.125212  0.137
2020 Lei BH, Pan S, Yang Z, Cao C, Singh DJ. Second Harmonic Generation Susceptibilities from Symmetry Adapted Wannier Functions. Physical Review Letters. 125: 187402. PMID 33196256 DOI: 10.1103/PhysRevLett.125.187402  0.137
2017 Sun J, Shuai J, Ren Z, Singh DJ. Computational modelling of the thermoelectric properties of p-type Zintl compound CaMg2Bi2 Materials Today Physics. 2: 40-45. DOI: 10.1016/J.Mtphys.2017.07.002  0.136
1995 Singh DJ. Local density and generalized gradient approximation studies of KNbO3 and BaTiO3 Ferroelectrics. 164: 143-152. DOI: 10.1080/00150199508221836  0.136
2013 Parker D, May AF, Wang H, McGuire MA, Sales BC, Singh DJ. Erratum: Electronic and thermoelectric properties of CoSbS and FeSbS [Phys. Rev. B87, 045205 (2013)] Physical Review B. 88. DOI: 10.1103/PHYSREVB.88.159902  0.136
2018 Qiao L, Zhang S, Xiao HY, Singh DJ, Zhang KHL, Liu ZJ, Zu XT, Li S. Orbital controlled band gap engineering of tetragonal BiFeO3 for optoelectronic applications Journal of Materials Chemistry C. 6: 1239-1247. DOI: 10.1039/C7Tc04160H  0.136
2012 Choi WS, Chisholm MF, Singh DJ, Choi T, Jellison GE, Lee HN. Wide bandgap tunability in complex transition metal oxides by site-specific substitution. Nature Communications. 3: 689. PMID 22353719 DOI: 10.1038/ncomms1690  0.136
2011 Parker D, Singh DJ. Transport properties of hole-doped CuBiS2 Physical Review B. 83. DOI: 10.1103/PHYSREVB.83.233206  0.136
2012 Sefat AS, Singh DJ. ChemInform Abstract: Chemistry and Electronic Structure of Iron-Based Superconductors Cheminform. 43: no-no. DOI: 10.1002/CHIN.201215215  0.136
2011 Sefat AS, Singh DJ. Chemistry and electronic structure of iron-based superconductors Mrs Bulletin. 36: 614-619. DOI: 10.1557/MRS.2011.175  0.136
2020 Shang H, Dun C, Deng Y, Li T, Gao Z, Xiao L, Gu H, Singh DJ, Ren Z, Ding F. Bi0.5Sb1.5Te3-based films for flexible thermoelectric devices Journal of Materials Chemistry. 8: 4552-4561. DOI: 10.1039/C9Ta13152C  0.136
2015 Sun J, Mukhopadhyay S, Subedi A, Siegrist T, Singh DJ. Transport properties of cubic crystalline Ge2Sb2Te5: A potential low-temperature thermoelectric material Applied Physics Letters. 106: 123907. DOI: 10.1063/1.4916558  0.135
2017 Hagmann JA, Le ST, Schneemeyer LF, Stroscio JA, Besara T, Sun J, Singh DJ, Siegrist T, Seiler DG, Richter CA. Interacting nanoscale magnetic superatom cluster arrays in molybdenum oxide bronzes. Nanoscale. PMID 28569301 DOI: 10.1039/C7Nr01087G  0.135
2002 Singh DJ. Itinerant electrons and magnetism in the Co–C chain compound YCoC Physical Review B. 66. DOI: 10.1103/PHYSREVB.66.132414  0.135
1997 Singh DJ. Density functional studies of PbZrO3, KTaO3and KNbO3 Ferroelectrics. 194: 299-322. DOI: 10.1080/00150199708016101  0.134
2001 Singh DJ, Gupta M, Gupta R. Density-functional description of spinelZnFe2O4 Physical Review B. 63. DOI: 10.1103/PHYSREVB.63.205102  0.134
2009 Vilmercati P, Fedorov A, Vobornik I, Manju U, Panaccione G, Goldoni A, Sefat AS, McGuire MA, Sales BC, Jin R, Mandrus D, Singh DJ, Mannella N. Evidence for three-dimensional Fermi-surface topology of the layered electron-doped iron superconductorBa(Fe1−xCox)2As2 Physical Review B. 79. DOI: 10.1103/PHYSREVB.79.220503  0.133
2014 Singh DJ, Xu Q, Ong KP. Strain effects on the band gap and optical properties of perovskite SrSnO3 and BaSnO3 Applied Physics Letters. 104: 011910. DOI: 10.1063/1.4861838  0.133
2020 Qin G, Ren W, Singh DJ. Interplay of local moment and itinerant magnetism in cobalt-based Heusler ferromagnets: Co 2 TiSi , Co 2 MnSi and Co 2 FeSi Physical Review B. 101: 14427. DOI: 10.1103/Physrevb.101.014427  0.133
2021 Ma Y, Xu S, Fan X, Singh DJ, Zheng W. Adsorption of K Ions on Single-Layer GeC for Potential Anode of K Ion Batteries. Nanomaterials (Basel, Switzerland). 11. PMID 34443731 DOI: 10.3390/nano11081900  0.133
2006 Krishnamurthy VV, Singh DJ, Kawamura N, Suzuki M, Ishikawa T. Composition-dependent induced spin and orbital magnetic moments of Ir in Co-Ir alloys from x-ray magnetic circular dichroism Physical Review B. 74. DOI: 10.1103/PHYSREVB.74.064411  0.131
1995 Singh DJ, Pickett WE. Superconductivity of boro-nitrides Nature. 374: 682. DOI: 10.1038/374682A0  0.13
1985 Singh D, Varshni Y. Valence charge density in indium arsenide Solid State Communications. 55: 549-551. DOI: 10.1016/0038-1098(85)90332-1  0.13
2013 Singh DJ, Parker D. Electronic and transport properties of zintl phase AeMg2Pn2, Ae = Ca,Sr,Ba, Pn = As,Sb,Bi in relation to Mg3Sb2 Journal of Applied Physics. 114: 143703. DOI: 10.1063/1.4824465  0.13
2002 Nagano T, Tsumurya K, Eguchi H, Singh DJ. Erratum: Electronic structure, bonding nature, and charge transfer inBa@Si20andSi20clusters: Anab initiostudy [Phys. Rev. B64, 155403 (2001)] Physical Review B. 66. DOI: 10.1103/PHYSREVB.66.199902  0.13
2023 Xu T, Tian F, Jiao D, Fan J, Jin Z, Zhang L, Zhang W, Zheng L, Singh DJ, Zhang L, Zheng W, Cui X. In Situ Construction of Built-In Opposite Electric Field Balanced Surface Adsorption for Hydrogen Evolution Reaction. Small (Weinheim An Der Bergstrasse, Germany). e2309249. PMID 38152975 DOI: 10.1002/smll.202309249  0.129
2014 Singh DJ. Multiband superconductivity ofTa4Pd3Te16from Tepstates Physical Review B. 90. DOI: 10.1103/PhysRevB.90.144501  0.129
2015 Fan X, Zheng WT, Kuo JL, Singh DJ. Structural stability of single-layer MoS2 under large strain. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 27: 105401. PMID 25706676 DOI: 10.1088/0953-8984/27/10/105401  0.127
1994 Singh DJ. Local and nonlocal density functional studies of FeCr Journal of Applied Physics. 76: 6688-6690. DOI: 10.1063/1.358168  0.127
2010 Bernstein N, Feldman JL, Singh DJ. Calculations of dynamical properties of skutterudites: Thermal conductivity, thermal expansivity, and atomic mean-square displacement Physical Review B - Condensed Matter and Materials Physics. 81. DOI: 10.1103/PhysRevB.81.134301  0.127
2015 Fan X, Chang CH, Zheng WT, Kuo JL, Singh DJ. The electronic properties of single-layer and multilayer MoS2 under high pressure Journal of Physical Chemistry C. 119: 10189-10196. DOI: 10.1021/Acs.Jpcc.5B00317  0.126
2007 Singh D, Wilson-Short G, Kasinathan D, Suewattana M, Fornari M. Electronic structure and disorder in NaxCoO2 and SrRh2O4 Solid State Sciences. 9: 604-607. DOI: 10.1016/J.SOLIDSTATESCIENCES.2007.03.008  0.125
2010 Kim HS, Christen HM, Biegalski MD, Singh DJ. Proximity to a ferroelectric instability in Ba1-x Cax ZrO3 Journal of Applied Physics. 108. DOI: 10.1063/1.3476287  0.124
2010 Ong KP, Singh DJ, Wu P. Unusual transport and strongly anisotropic thermopower in PtCoO2 and PdCoO2. Physical Review Letters. 104: 176601. PMID 20482123 DOI: 10.1103/PHYSREVLETT.104.176601  0.124
2017 Sun J, Singh DJ. Thermoelectric properties of AMg2X2, AZn2Sb2(A = Ca, Sr, Ba; X = Sb, Bi), and Ba2ZnX2(X = Sb, Bi) Zintl compounds Journal of Materials Chemistry A. 5: 8499-8509. DOI: 10.1039/C6TA11234J  0.124
2023 Jin Z, Yang M, Dong Y, Ma X, Wang Y, Wu J, Fan J, Wang D, Xi R, Zhao X, Xu T, Zhao J, Zhang L, Singh DJ, Zheng W, et al. Atomic Dispersed Hetero-Pairs for Enhanced Electrocatalytic CO Reduction. Nano-Micro Letters. 16: 4. PMID 37930457 DOI: 10.1007/s40820-023-01214-2  0.124
2018 Huang H, Fan X, Singh DJ, Zheng W. Modulation of Hydrogen Evolution Catalytic Activity of Basal Plane in Monolayer Platinum and Palladium Dichalcogenides. Acs Omega. 3: 10058-10065. PMID 31459134 DOI: 10.1021/acsomega.8b01414  0.123
2015 Xi L, Qiu Y, Shi X, Zhang W, Chen L, Singh DJ, Yang J. Defect-enhanced void filling and novel filled phases of open-structure skutterudites Chemical Communications. 51: 10823-10826. DOI: 10.1039/c5cc03111g  0.123
2007 Wilson-Short GB, Singh DJ, Fornari M, Suewattana M. Thermoelectric properties of rhodates: Layeredβ−SrRh2O4and spinelZnRh2O4 Physical Review B. 75. DOI: 10.1103/PHYSREVB.75.035121  0.123
2002 Cava RJ, DiSalvo FJ, Brus LE, Dunbar KR, Gorman CB, Haile SM, Interrante LV, Musfeldt JL, Navrotsky A, Nuzzo RG, Pickett WE, Wilkinson AP, Ahn C, Allen JW, Burns PC, ... ... Singh DJ, et al. Future directions in solid state chemistry: Report of the NSF-sponsored workshop Progress in Solid State Chemistry. 30: 1-101. DOI: 10.1016/S0079-6786(02)00010-9  0.122
2008 Subedi A, Singh DJ. Bonding in Zintl phase hydrides: Density functional calculations for SrAlSiH, SrAl2 H2, SrGa2 H2, and BaGa2 H2 Physical Review B - Condensed Matter and Materials Physics. 78. DOI: 10.1103/PhysRevB.78.045106  0.122
2019 Zhu H, Mao J, Feng Z, Sun J, Zhu Q, Liu Z, Singh DJ, Wang Y, Ren Z. Understanding the asymmetrical thermoelectric performance for discovering promising thermoelectric materials. Science Advances. 5: eaav5813. PMID 31245535 DOI: 10.1126/Sciadv.Aav5813  0.122
2021 Yin D, Dun C, Zhang H, Fu Z, Gao X, Wang X, Singh DJ, Carroll DL, Liu Y, Swihart MT. Binary and Ternary Colloidal Cu-Sn-Te Nanocrystals for Thermoelectric Thin Films. Small (Weinheim An Der Bergstrasse, Germany). e2006729. PMID 33624942 DOI: 10.1002/smll.202006729  0.121
2022 Waqar M, Wu H, Ong KP, Liu H, Li C, Yang P, Zang W, Liew WH, Diao C, Xi S, Singh DJ, He Q, Yao K, Pennycook SJ, Wang J. Origin of giant electric-field-induced strain in faulted alkali niobate films. Nature Communications. 13: 3922. PMID 35798745 DOI: 10.1038/s41467-022-31630-8  0.121
2018 Huang HH, Fan X, Yang GM, Singh DJ, Zheng WT. DFT calculation for stability and strength of iron borides Computational Materials Science. 144: 147-153. DOI: 10.1016/J.Commatsci.2017.12.021  0.12
2016 Parker DS, Herklotz A, Ward TZ, Mcguire MA, Singh DJ. Enhanced ferroelectric polarization and possible morphotrophic phase boundary in PZT-based alloys Physical Review B - Condensed Matter and Materials Physics. 93. DOI: 10.1103/PhysRevB.93.174307  0.12
2012 Cooper VR, Morris JR, Takagi S, Singh DJ. La-driven morphotrophic phase boundary in the Bi(Zn1/2Ti 1/2)O3-La(Zn1/2Ti1/2)O 3-PbTiO3 solid solution Chemistry of Materials. 24: 4477-4482. DOI: 10.1021/Cm303059H  0.12
2019 Samosir H, Boon-on P, Lin Y, Chen L, Singh DJ, Shi JB, Lee M. Tunable Optical Properties in SnxSb2–yS3: A New Solar Absorber Material with an Efficiency of near 5% The Journal of Physical Chemistry C. 123: 5209-5215. DOI: 10.1021/ACS.JPCC.8B10596  0.12
2009 Gupta M, Gupta RP, Singh DJ. (MnH9)2−salts with high hydrogen contents and unusual bonding: Density functional calculations Physical Review B. 80. DOI: 10.1103/PHYSREVB.80.235103  0.119
2012 Singh DJ. Electronic structure of TlGeI3, TlSnI3, and TlPbI3: Potential use for spectroscopic radiation detection Journal of Applied Physics. 112: 083509. DOI: 10.1063/1.4759240  0.119
1997 Singh DJ. Intermixing in Fe/Cr (001) multilayers: Density functional calculations Journal of Vacuum Science & Technology a: Vacuum, Surfaces, and Films. 15: 1770-1773. DOI: 10.1116/1.580867  0.118
2008 Singh DJ. Comment on “Evidence for strong electronic correlations in the spectra ofSr2RuO4” Physical Review B. 77. DOI: 10.1103/PHYSREVB.77.046101  0.118
2005 Johannes MD, Mazin II, Singh DJ, Papaconstantopoulos DA. Erratum: Nesting, Spin Fluctuations, and Odd-Gap Superconductivity inNaxCoO2·yH2O[Phys. Rev. Lett.93, 097005 (2004)PRLTAO0031-9007] Physical Review Letters. 94. DOI: 10.1103/Physrevlett.94.169901  0.117
2016 Huang HH, Fan X, Singh DJ, Chen H, Jiang Q, Zheng WT. Controlling phase transition for single-layer MTe2 (M = Mo and W): modulation of the potential barrier under strain. Physical Chemistry Chemical Physics : Pccp. PMID 26778806 DOI: 10.1039/C5Cp06706E  0.117
2015 Fan X, Zheng WT, Jiang Q, Singh DJ. Pressure evolution of the potential barriers for transformations of layered BN to dense structures Rsc Advances. 5: 87550-87555. DOI: 10.1039/C5Ra17153A  0.116
2006 Wei B, Shima M, Pati R, Nayak SK, Singh DJ, Ma R, Li Y, Bando Y, Nasu S, Ajayan PM. Room-temperature ferromagnetism in doped face-centered cubic fe nanoparticles. Small (Weinheim An Der Bergstrasse, Germany). 2: 804-9. PMID 17193125 DOI: 10.1002/Smll.200500436  0.115
2001 Nagano T, Tsumuraya K, Eguchi H, Singh D. Electronic structure, bonding nature, and charge transfer in Ba@Si20 and Si20 clusters: An ab initio study Physical Review B. 64. DOI: 10.1103/PHYSREVB.64.155403  0.114
2020 Fan J, Wu J, Cui X, Gu L, Zhang Q, Meng F, Lei BH, Singh DJ, Zheng W. Hydrogen stabilized RhPdH 2D bimetallene nanosheets for efficient alkaline hydrogen evolution. Journal of the American Chemical Society. PMID 32023049 DOI: 10.1021/jacs.0c00218  0.114
2019 Xu S, Fan X, Liu J, Jiang Q, Zheng W, Singh DJ. Adsorption of Na on silicene for potential anode for Na-ion batteries Electrochimica Acta. 297: 497-503. DOI: 10.1016/J.Electacta.2018.12.008  0.114
2023 Ruan X, Meng D, Huang C, Xu M, Wen X, Ba K, Singh DJ, Zhang H, Zhang L, Xie T, Zhang W, Zheng W, Ravi SK, Cui X. Enhancing Photocatalytic Hydrogen Evolution by Synergistic Benefits of MXene Cocatalysis and Homo-Interface Engineering. Small Methods. e2300627. PMID 37649214 DOI: 10.1002/smtd.202300627  0.113
2020 Li S, Feng Z, Tang Z, Zhang F, Cao F, Liu X, Singh DJ, Mao J, Ren Z, Zhang Q. Defect Engineering for Realizing p-Type AgBiSe2 with a Promising Thermoelectric Performance Chemistry of Materials. 32: 3528-3536. DOI: 10.1021/Acs.Chemmater.0C00481  0.113
2012 T-Thienprasert J, Limpijumnong S, Du M-, Singh DJ. First principles study of O defects in CdSe Physica B-Condensed Matter. 407: 2841-2845. DOI: 10.1016/J.Physb.2011.08.042  0.113
2019 Dun C, Kuang W, Kempf N, Saeidi-Javash M, Singh DJ, Zhang Y. 3D Printing of Solution-Processable 2D Nanoplates and 1D Nanorods for Flexible Thermoelectrics with Ultrahigh Power Factor at Low-Medium Temperatures. Advanced Science (Weinheim, Baden-Wurttemberg, Germany). 6: 1901788. PMID 31832319 DOI: 10.1002/Advs.201901788  0.113
2014 T-Thienprasert J, Watcharatharapong T, Fongkaew I, Du MH, Singh DJ, Limpijumnong S. Identification of oxygen defects in CdTe revisited: First-principles study Journal of Applied Physics. 115: 203511. DOI: 10.1063/1.4880157  0.112
2015 Li Y, Zhang L, Ma Y, Singh DJ. Tuning optical properties of transparent conducting barium stannate by dimensional reduction Apl Materials. 3: 011102. DOI: 10.1063/1.4906785  0.112
2011 Cooper VR, Henry AS, Takagi S, Singh DJ. First principles prediction of a morphotropic phase boundary in the Bi (Zn1/2 Ti1/2) O3 - (Bi1/2 Sr1/2) (Zn1/2 Nb1/2) O3 alloy Applied Physics Letters. 98. DOI: 10.1063/1.3570626  0.112
2018 Niu S, Joe G, Zhao H, Zhou Y, Orvis T, Huyan H, Salman J, Mahalingam K, Urwin B, Wu J, Liu Y, Tiwald TE, Cronin SB, Howe BM, Mecklenburg M, ... ... Singh DJ, et al. Giant optical anisotropy in a quasi-one-dimensional crystal Nature Photonics. 12: 392-396. DOI: 10.1038/S41566-018-0189-1  0.112
2020 Tran F, Baudesson G, Carrete J, Madsen GKH, Blaha P, Schwarz K, Singh DJ. Shortcomings of meta-GGA functionals when describing magnetism Physical Review B. 102. DOI: 10.1103/PHYSREVB.102.024407  0.112
1993 Singh DJ. Calculated electric field gradients of ferroelectric KNbO3 Solid State Communications. 88: 323-325. DOI: 10.1016/0038-1098(93)90517-Q  0.112
2009 Du M, Singh DJ. Hydrogen in anion vacancies of semiconductors Physical Review B. 79: 205201. DOI: 10.1103/Physrevb.79.205201  0.112
2008 Kagimura R, Singh DJ. First-principles investigations of elastic properties and energetics of antiferroelectric and ferroelectric phases ofPbZrO3 Physical Review B. 77. DOI: 10.1103/PHYSREVB.77.104113  0.111
2021 Li K, Fan X, Singh DJ, Zheng WT. Search for potential K ion battery cathodes by first principles Journal of Energy Chemistry. 54: 377-385. DOI: 10.1016/J.Jechem.2020.06.003  0.111
2015 Xi L, Qiu Y, Shi X, Zhang W, Chen L, Singh DJ, Yang J. Defect-enhanced void filling and novel filled phases of open-structure skutterudites. Chemical Communications (Cambridge, England). 51: 10823-6. PMID 26051819 DOI: 10.1039/C5Cc03111G  0.111
2012 Parker D, Singh DJ, Zhang Q, Ren Z. Thermoelectric properties of n-type PbSe revisited Journal of Applied Physics. 111: 123701. DOI: 10.1063/1.4728229  0.111
2012 Pulikkotil JJ, Singh DJ, Auluck S, Saravanan M, Misra DK, Dhar A, Budhani RC. Doping and temperature dependence of thermoelectric properties in Mg2(Si,Sn) Physical Review B. 86. DOI: 10.1103/PHYSREVB.86.155204  0.111
2014 Singh DJ. Superconductivity and magnetism in YFe2Ge2 Physical Review B. 89. DOI: 10.1103/PhysRevB.89.024505  0.11
2023 Fan J, Feng Z, Mu Y, Ge X, Wang D, Zhang L, Zhao X, Zhang W, Singh DJ, Ma J, Zheng L, Zheng W, Cui X. Spatially Confined PdH Metallenes by Tensile Strained Atomic Ru Layers for Efficient Hydrogen Evolution. Journal of the American Chemical Society. 145: 5710-5717. PMID 36877096 DOI: 10.1021/jacs.2c11692  0.11
2017 Shuai J, Mao J, Song S, Zhu Q, Sun J, Wang Y, He R, Zhou J, Chen G, Singh DJ, Ren Z. Tuning the carrier scattering mechanism to effectively improve the thermoelectric properties Energy and Environmental Science. 10: 799-807. DOI: 10.1039/C7Ee00098G  0.109
2010 Parker D, Singh DJ. High-temperature thermoelectric performance of heavily doped PbSe Physical Review B. 82. DOI: 10.1103/PHYSREVB.82.035204  0.109
2015 Yu ZG, Sun J, Sullivan MB, Zhang YW, Gong H, Singh DJ. Dopant chemical potential modulation on oxygen vacancies formation in In2O3: A comparative density functional study Chemical Physics Letters. 621: 141-145. DOI: 10.1016/J.Cplett.2015.01.008  0.109
2011 Ong KP, Singh DJ, Wu P. Analysis of the thermoelectric properties ofn-type ZnO Physical Review B. 83. DOI: 10.1103/PHYSREVB.83.115110  0.108
2021 Li X, Zhang Z, Xi J, Singh DJ, Sheng Y, Yang J, Zhang W. TransOpt. A code to solve electrical transport properties of semiconductors in constant electron–phonon coupling approximation Computational Materials Science. 186: 110074. DOI: 10.1016/J.COMMATSCI.2020.110074  0.108
2010 Singh DJ. Structure and optical properties of high light output halide scintillators Physical Review B. 82. DOI: 10.1103/PhysRevB.82.155145  0.108
2004 Halilov SV, Singh DJ, Gupta M, Gupta R. Stability and electronic structure of the complexK2PtCl6-structure hydridesDMH6(D=Mg,Ca,Sr;M=Fe,Ru,Os) Physical Review B. 70. DOI: 10.1103/PHYSREVB.70.195117  0.107
2009 Sefat AS, Singh DJ, Jin R, McGuire MA, Sales BC, Ronning F, Mandrus D. BaT2As2 single crystals (T = Fe, Co, Ni) and superconductivity upon Co-doping Physica C-Superconductivity and Its Applications. 469: 350-354. DOI: 10.1016/J.Physc.2009.03.025  0.107
2020 Zhang Y, Zhang W, Singh DJ. Correction: Localization in the SCAN meta-generalized gradient approximation functional leading to broken symmetry ground states for graphene and benzene. Physical Chemistry Chemical Physics : Pccp. PMID 33103700 DOI: 10.1039/d0cp90239j  0.107
2016 Dahal A, Gunasekera J, Harringer L, Singh DK, Singh DJ. Metallic nickel silicides: Experiments and theory for NiSi and first principles calculations for other phases Journal of Alloys and Compounds. 672: 110-116. DOI: 10.1016/j.jallcom.2016.02.133  0.107
1996 Nordström L, Singh DJ. Calculated spacer-layer Friedel oscillations in Co/Cu(001) Journal of Applied Physics. 79: 4515. DOI: 10.1063/1.361767  0.105
2020 Feng Z, Fu Y, Zhang Y, Singh DJ. Characterization of rattling in relation to thermal conductivity: Ordered half-Heusler semiconductors Physical Review B. 101. DOI: 10.1103/PhysRevB.101.064301  0.104
2011 Avdeev M, Thorogood GJ, Carter ML, Kennedy BJ, Ting J, Singh DJ, Wallwork KS. ChemInform Abstract: Antiferromagnetism in a Technetium Oxide. Structure of CaTcO3. Cheminform. 42: no-no. DOI: 10.1002/CHIN.201119010  0.103
2005 Ghita M, Fornari M, Singh DJ, Halilov SV. Interplay between A -site and B -site driven instabilities in perovskites Physical Review B. 72: 54114. DOI: 10.1103/Physrevb.72.054114  0.103
1997 Mazin II, Singh DJ. Ferromagnetic Spin Fluctuation Induced Superconductivity inSr2RuO4 Physical Review Letters. 79: 733-736. DOI: 10.1103/PhysRevLett.79.733  0.103
2017 Shi H, Ming W, Parker DS, Du M, Singh DJ. Prospective high thermoelectric performance of the heavily p -doped half-Heusler compound CoVSn Physical Review B. 95. DOI: 10.1103/Physrevb.95.195207  0.103
2015 Gao Y, Roldan MA, Zhang J, Qiao L, Chi M, Mandrus D, Shen X, Chisholm MF, Singh DJ, Cao G. Atomic Resolution STEM-EELS Study of Transition Electronic Localization State Induced by Strain Microscopy and Microanalysis. 21: 617-618. DOI: 10.1017/S1431927615003888  0.102
2022 Wu J, Fan J, Zhao X, Wang Y, Wang D, Liu H, Gu L, Zhang Q, Zheng L, Cui X, Singh DJ, Zheng W. Atomically Dispersed MoOx on Rhodium Metallene Boosts Electrocatalyzed Alkaline Hydrogen Evolution. Angewandte Chemie (International Ed. in English). PMID 35762984 DOI: 10.1002/anie.202207512  0.101
2018 Ran Z, Wang X, Li Y, Yang D, Zhao X, Biswas K, Singh DJ, Zhang L. Bismuth and antimony-based oxyhalides and chalcohalides as potential optoelectronic materials Npj Computational Materials. 4. DOI: 10.1038/s41524-018-0071-1  0.1
1992 Krakauer H, Yu R, Zhang Q, Haas C, Singh D, Liu A. Linear response calculations using lapw and mixed basis methods Ferroelectrics. 136: 105-112. DOI: 10.1080/00150199208016070  0.1
2018 Fu Y, Singh DJ. Thermal conductivity of perovskite KTaO3 and PbTiO3 from first principles Physical Review Materials. 2. DOI: 10.1103/PhysRevMaterials.2.094408  0.099
2020 Boon-On P, Singh DJ, Shi JB, Lee MW. Bandgap Tunable Ternary Cd Sb S Nanocrystals for Solar Cell Applications. Acs Omega. 5: 113-121. PMID 31956758 DOI: 10.1021/acsomega.9b01762  0.099
2014 Fan Z, Wang J, Sullivan MB, Huan A, Singh DJ, Ong KP. Structural instability of epitaxial (001) BiFeO₃ thin films under tensile strain. Scientific Reports. 4: 4631. PMID 24717537 DOI: 10.1038/Srep04631  0.099
1992 Singh DJ. Arsenic poisoning of magnetism in bcc cobalt Journal of Applied Physics. 71: 3431-3433. DOI: 10.1063/1.350941  0.098
2012 T-Thienprasert J, Fongkaew I, Singh DJ, Du M, Limpijumnong S. Identification of hydrogen defects in SrTiO3 by first-principles local vibration mode calculations Physical Review B. 85. DOI: 10.1103/Physrevb.85.125205  0.098
2007 Singh DJ, Takenaka H, Jellison GE, Boatner LA. Applications of First Principles Theory to Inorganic Radiation Detection Materials Mrs Proceedings. 1038. DOI: 10.1557/PROC-1038-O02-01  0.098
1985 Singh D, Varshni Y. Bound state properties of the Lennard-Jones 8-6 potential Physica B+C. 132: 235-239. DOI: 10.1016/0378-4363(85)90069-5  0.097
2015 Eguchi H, Umemura M, Kurotani R, Fukumura H, Sato I, Kim JH, Hoshino Y, Lee J, Amemiya N, Sato M, Hirata K, Singh DJ, Masuda T, Yamamoto M, Urano T, et al. A magnetic anti-cancer compound for magnet-guided delivery and magnetic resonance imaging. Scientific Reports. 5: 9194. PMID 25779357 DOI: 10.1038/Srep09194  0.097
2019 Huang H, Li K, Fan X, Singh DJ, Zheng WT. Storage of Na in layered graphdiyne as high capacity anode materials for sodium ion batteries Journal of Materials Chemistry. 7: 25609-25618. DOI: 10.1039/C9Ta08792C  0.097
2024 Liu M, Fan X, Cui X, Zheng W, Singh DJ. Amorphous RuPd bimetallene for hydrogen evolution reaction in acidic and alkaline conditions: a first-principles study. Physical Chemistry Chemical Physics : Pccp. 26: 7896-7906. PMID 38376501 DOI: 10.1039/d3cp05512d  0.096
2019 Liu J, Fan X, Shi Y, Singh DJ, Zheng W. Nanopores in nanocrystalline gold Materialia. 5: 100195. DOI: 10.1016/J.Mtla.2018.100195  0.095
2013 Chen X, Parker D, Singh DJ. Acoustic impedance and interface phonon scattering in Bi2Te3and other semiconducting materials Physical Review B. 87. DOI: 10.1103/PhysRevB.87.045317  0.095
2010 T-Thienprasert J, Limpijumnong S, Janotti A, Walle CGVd, Zhang L, Du M-, Singh DJ. Vibrational signatures of OTe and OTe–VCd in CdTe: A first-principles study Computational Materials Science. 49. DOI: 10.1016/J.Commatsci.2010.01.024  0.095
2020 Zhou T, Feng Z, Mao J, Jiang J, Zhu H, Singh DJ, Wang C, Ren Z. Thermoelectric Properties of Zintl Phase YbMg2Sb2 Chemistry of Materials. 32: 776-784. DOI: 10.1021/Acs.Chemmater.9B04131  0.094
2018 Fu Y, He X, Zhang L, Singh DJ. Collective-Goldstone-mode-induced ultralow lattice thermal conductivity in Sn-filled skutterudite SnFe4Sb12 Physical Review B. 97. DOI: 10.1103/PHYSREVB.97.024301  0.094
2020 Song J, Fei G, Liu X, Duan S, Yang B, Chen X, Singh DJ, Liu Y, Yang L, Guo J, Zhang P. Pressure-driven significant phonon mode softening and robust superconductivity in layered germanium phosphide Journal of Materials Chemistry A. 8: 20054-20061. DOI: 10.1039/d0ta07243e  0.094
2008 Singh DJ, Terasaki I. Thermoelectrics: Nanostructuring and more. Nature Materials. 7: 616-7. PMID 18654586 DOI: 10.1038/nmat2243  0.094
2001 Singh D, Mazin I. Magnetism and magnetoelastic coupling in layered ruthenates Ieee Transactions On Magnetics. 37: 2721-2723. DOI: 10.1109/20.951286  0.093
2020 Xu S, Fan X, Gu C, Shi Y, Singh DJ, Zheng W. First principles and molecular dynamics study of Li wetting and diffusion on W surfaces Journal of Nuclear Materials. 539: 152345. DOI: 10.1016/J.Jnucmat.2020.152345  0.092
2007 Singh D, Kasinathan D. Thermoelectric Properties of Na x CoO2 and Prospects for Other Oxide Thermoelectrics Journal of Electronic Materials. 36: 736-739. DOI: 10.1007/S11664-007-0154-0  0.091
2015 Gordiz K, Singh DJ, Henry A. Ensemble averaging vs. time averaging in molecular dynamics simulations of thermal conductivity Journal of Applied Physics. 117. DOI: 10.1063/1.4906957  0.091
2006 Halilov S, Singh D, Perlov A. Spin structure of quantum fluctuations in Journal of Magnetism and Magnetic Materials. 300: 89-93. DOI: 10.1016/J.JMMM.2005.10.039  0.091
2017 Li Y, Singh DJ. Properties of the ferroelectric visible light absorbing semiconductors: Sn2P2S6 and Sn2P2Se6 Physical Review Materials. 1. DOI: 10.1103/PhysRevMaterials.1.075402  0.09
2013 Cooper VR, Morris JR, Takagi S, Singh DJ. Correction to La-Driven Morphotropic Phase Boundary in the Bi(Zn1/2Ti1/2)O3–La(Zn1/2Ti1/2)O3–PbTiO3 Solid Solution Chemistry of Materials. 25: 3777-3777. DOI: 10.1021/Cm402811Y  0.09
2012 Suewattana M, Singh DJ, Limpijumnong S. Erratum: Crystal structure and cation off-centering in Bi(Mg1/2Ti1/2)O3[Phys. Rev. B86, 064105 (2012)] Physical Review B. 86. DOI: 10.1103/Physrevb.86.219903  0.09
2017 Li Y, Sun J, Singh DJ. Infrared absorption and visible transparency in heavily doped p-type BaSnO3 Applied Physics Letters. 110: 051904. DOI: 10.1063/1.4975686  0.089
2013 Singh DJ. Optical properties of cubic and rhombohedral GeTe Journal of Applied Physics. 113: 203101. DOI: 10.1063/1.4807638  0.089
2002 Singh DJ, Gupta M, Gupta R. First-principles investigation ofMnFe2O4 Physical Review B. 65. DOI: 10.1103/PHYSREVB.65.064432  0.088
2016 Liang Z, Fan X, Singh DJ, Zheng WT. Adsorption and diffusion of Li with S on pristine and defected graphene. Physical Chemistry Chemical Physics : Pccp. PMID 27819084 DOI: 10.1039/C6Cp04984B  0.088
2011 Sefat AS, Singh DJ, Ovidiu Garlea V, Zuev YL, McGuire MA, Sales BC. Variation of physical properties in the nominal Sr4V 2O6Fe2As2 Physica C: Superconductivity and Its Applications. 471: 143-149. DOI: 10.1016/j.physc.2011.01.004  0.088
1993 Liu AY, Singh DJ. bcc cobalt: Metastable phase or forced structure? Journal of Applied Physics. 73: 6189-6191. DOI: 10.1063/1.352693  0.086
2004 Halilov SV, Fornari M, Singh DJ. Lattice instabilities and ferroelectricity inAScO3perovskite alloys Physical Review B. 69. DOI: 10.1103/PHYSREVB.69.174107  0.086
2012 Singh D. Magnetism and Superconductivity in Iron Pnictides Acta Physica Polonica A. 121: 999-1004. DOI: 10.12693/APHYSPOLA.121.999  0.085
2006 Feldman JL, Dai P, Enck T, Sales BC, Mandrus D, Singh DJ. Lattice vibrations in la (Ce) Fe4 Sb12 and Co Sb3: Inelastic neutron scattering and theory Physical Review B - Condensed Matter and Materials Physics. 73. DOI: 10.1103/PhysRevB.73.014306  0.084
2012 Xi L, Zhang YB, Shi XY, Yang J, Shi X, Chen L, Zhang W, Yang J, Singh DJ. Chemical bonding, conductive network, and thermoelectric performance of the ternary semiconductors Cu2SnX3(X=Se,S) from first principles Physical Review B. 86: 155201. DOI: 10.1103/Physrevb.86.155201  0.084
2015 Fan X, Zheng WT, Kuo JL, Singh DJ. Structural stability of single-layer MoS2 under large strain Journal of Physics Condensed Matter. 27. DOI: 10.1088/0953-8984/27/10/105401  0.083
2010 Jellison GE, Auluck S, Singh DJ, Boatner LA. Optical properties of bismuth germanate Journal of Applied Physics. 107: 013514. DOI: 10.1063/1.3272909  0.081
2014 Fan X, Zheng W, Singh DJ. Light scattering and surface plasmons on small spherical particles Light-Science & Applications. 3. DOI: 10.1038/Lsa.2014.60  0.081
2019 Li Y, Singh DJ. First principles based screen for identification of transparent conductors Journal of Materials Chemistry C. 7: 2436-2442. DOI: 10.1039/C8TC05917A  0.081
2008 Gupta M, Gupta RP, Singh DJ. Iron-induced hydride formation inZrPd2: First-principles calculations Physical Review B. 78. DOI: 10.1103/PHYSREVB.78.153104  0.08
2014 Wang H, Cui X, Guan W, Zheng X, Zhao H, Wang Z, Wang Q, Xue T, Liu C, Singh DJ, Zheng W. Kinetic effects in the photomediated synthesis of silver nanodecahedra and nanoprisms: combined effect of wavelength and temperature. Nanoscale. 6: 7295-302. PMID 24848449 DOI: 10.1039/c4nr01442a  0.079
2010 Singh DJ, Seo SSA, Lee HN. Optical properties of ferroelectricBi4Ti3O12 Physical Review B. 82. DOI: 10.1103/PHYSREVB.82.180103  0.077
2021 Qin G, Ren W, Singh DJ, Lei B. Disorder and Itinerant Magnetism in Full Heusler Pd2TiIn Chinese Physics Letters. 38: 017102. DOI: 10.1088/0256-307X/38/1/017102  0.077
2015 Besara T, Ramirez D, Sun J, Whalen JB, Tokumoto TD, McGill SA, Singh DJ, Siegrist T. ChemInform Abstract: Ba2TeO: A New Layered Oxytelluride. Cheminform. 46: no-no. DOI: 10.1002/CHIN.201509010  0.076
2016 Yang J, Xi L, Qiu W, Wu L, Shi X, Chen L, Yang J, Zhang W, Uher C, Singh DJ. On the tuning of electrical and thermal transport in thermoelectrics: an integrated theory–experiment perspective Npj Computational Materials. 2. DOI: 10.1038/NPJCOMPUMATS.2015.15  0.076
2017 Liang Z, Fan X, Zheng W, Singh DJ. Adsorption and Formation of Small Na clusters on Pristine and Double-Vacancy Graphene for Anodes of Na-ion Batteries. Acs Applied Materials & Interfaces. PMID 28474877 DOI: 10.1021/Acsami.7B02972  0.076
1984 Singh D, Varshni YP. Applicability of the special-point method in lattice dynamics Physical Review B. 30: 6917-6920. DOI: 10.1103/PHYSREVB.30.6917  0.076
1995 Drago RS, Jurczyk K, Singh DJ, Young V. Low-temperature deep oxidation of hydrocarbons by metal oxides supported on carbonaceous materials Applied Catalysis B, Environmental. 6: 155-168. DOI: 10.1016/0926-3373(95)00009-7  0.075
2005 Halilov SV, Singh DJ, Minár J, Perlov AY, Ebert H. Antiferromagnetic spin fluctuations and proximity to a quantum critical point inSr2RuO4 Physical Review B. 71. DOI: 10.1103/PHYSREVB.71.100503  0.074
2017 Sun J, Singh DJ. Correction: Thermoelectric properties of AMg2X2, AZn2Sb2 (A = Ca, Sr, Ba; X = Sb, Bi), and Ba2ZnX2 (X = Sb, Bi) Zintl compounds Journal of Materials Chemistry A. 5: 17088-17088. DOI: 10.1039/C7TA90166F  0.074
2014 Feldman JL, Singh DJ, Bernstein N. Lattice-dynamical model for the filled skutterudite LaFe4 Sb12: Harmonic and anharmonic couplings Physical Review B - Condensed Matter and Materials Physics. 89. DOI: 10.1103/PhysRevB.89.224304  0.073
2015 Parker DS, May AF, Singh DJ. Benefits of carrier-pocket anisotropy to thermoelectric performance: The case of p-type AgBiSe2 Physical Review Applied. 3. DOI: 10.1103/PhysRevApplied.3.064003  0.073
2017 Sun J, Singh DJ. Using gapped topological surface states of Bi2Se3 films in a field effect transistor Journal of Applied Physics. 121: 064301. DOI: 10.1063/1.4975819  0.072
2016 Fu Y, Du X, Zhang L, Peng F, Zhang M, Pickard CJ, Needs RJ, Singh DJ, Zheng W, Ma Y. High-Pressure Phase Stability and Superconductivity of Pnictogen Hydrides and Chemical Trends for Compressed Hydrides Chemistry of Materials. 28: 1746-1755. DOI: 10.1021/acs.chemmater.5b04638  0.072
2006 Feldman JL, Singh DJ, Kendziora C, Mandrus D, Sales BC. Erratum: Lattice dynamics of filled skutterudites:La(Fe,Co)4Sb12[Phys. Rev. B68, 094301 (2003)] Physical Review B. 73. DOI: 10.1103/PHYSREVB.73.019902  0.072
2008 Kagimura R, Singh DJ. Ab initiostudy of Pb antisite defects inPbZrO3andPb(Zr,Ti)O3 Physical Review B. 78. DOI: 10.1103/PHYSREVB.78.174105  0.071
2017 Li Y, Zhang L, Singh DJ. New stable ternary alkaline-earth metal Pb(II) oxides: Ca/Sr/BaPb2O3 and BaPbO2 Physical Review Materials. 1. DOI: 10.1103/PHYSREVMATERIALS.1.055001  0.07
2002 Thonhauser T, Ambrosch-Draxl C, Singh DJ. Stress and pressure within the linearized-augmented plane-wave method Solid State Communications. 124: 275-282. DOI: 10.1016/S0038-1098(02)00181-3  0.069
2011 Parker D, Singh DJ. Potential Thermoelectric Performance from Optimization of Hole-DopedBi2Se3 Physical Review X. 1. DOI: 10.1103/PHYSREVX.1.021005  0.069
2019 Dong Y, Diao C, Song Y, Chi H, Singh DJ, Lin J. Molecular Bridge Thermal Diode Enabled by Vibrational Mismatch Physical Review Applied. 11: 24043. DOI: 10.1103/Physrevapplied.11.024043  0.069
2017 Norouzzadeh P, Singh DJ. Cross‐plane thermal conductivity of tungsten diselenide Physica Status Solidi (C). 14. DOI: 10.1002/Pssc.201700078  0.069
2011 Jellison GE, McGuire MA, Boatner LA, Budai JD, Specht ED, Singh DJ. Spectroscopic dielectric tensor of monoclinic crystals: CdWO4 Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/PhysRevB.84.195439  0.068
2020 Voskoboinik A, Gerstenfeld EP, Moss JD, Hsia H, Goldberger J, Nazer B, Dewland T, Singh D, Badhwar N, Tchou PJ, Meriwether JN, Sauer W, Danon A, Belhassen B, Scheinman MM. Complex Re-Entrant Arrhythmias Involving the His-Purkinje System: A Structured Approach to Diagnosis and Management. Jacc. Clinical Electrophysiology. 6: 1488-1498. PMID 33213808 DOI: 10.1016/j.jacep.2020.06.009  0.068
2013 Fan X, Zheng WT, Kuo JL, Singh DJ. Adsorption of single li and the formation of small li clusters on graphene for the anode of lithium-ion batteries Acs Applied Materials and Interfaces. 5: 7793-7797. PMID 23863039 DOI: 10.1021/Am401548C  0.068
2020 Liu P, Li J, Tu X, Yin H, Sa B, Zhang J, Singh DJ, Wang B. Prediction of superconductivity and topological aspects in single-layer β−Bi2Pd Physical Review B. 102. DOI: 10.1103/physrevb.102.155406  0.068
2019 Feldman JL, Singh DJ, Bernstein N. Erratum: Lattice-dynamical model for the filled skutterudite LaFe4Sb12 : Harmonic and anharmonic couplings [Phys. Rev. B 89 , 224304 (2014)] Physical Review B. 100. DOI: 10.1103/physrevb.100.169903  0.065
2002 Halilov SV, Singh DJ, Papaconstantopoulos DA. Soft modes and superconductivity in the layered hexagonal carbidesV2CAs,Nb2CAs,andNb2CS Physical Review B. 65. DOI: 10.1103/PHYSREVB.65.174519  0.064
2002 Halilov SV, Fornari M, Singh DJ. Lattice instabilities in (Pb,Cd)TiO3 alloys Applied Physics Letters. 81: 3443-3445. DOI: 10.1063/1.1518562  0.063
2023 Gozun M, Vu K, Nishimura Y, Ghukasyan H, Zhang J, Kemble-Luo A, Singh D. Cliff diving leading to commotio cordis in a patient with Ebstein's anomaly. Journal of Cardiology Cases. 28: 250-252. PMID 38126049 DOI: 10.1016/j.jccase.2023.08.012  0.063
2019 Neu J, Wei K, He X, Delaire O, Baumbach R, Feng Z, Fu Y, Zhang Y, Singh DJ, Siegrist T. Orthorhombic to monoclinic phase transition in NbNiTe2 Physical Review B. 100. DOI: 10.1103/Physrevb.100.144102  0.062
2017 Sun J, Singh DJ. First-principles study of tantalum-arsenic binary compounds Journal of Applied Physics. 121: 015101. DOI: 10.1063/1.4973273  0.062
2014 Fan Z, Wang J, Sullivan MB, Huan A, Singh DJ, Ong KP. Structural instability of epitaxial (001) BiFeO3 thin films under tensile strain Scientific Reports. 4. DOI: 10.1038/srep04631  0.062
2016 Dahal A, Gunasekera J, Harriger L, Lee SH, Hor YS, Singh DJ, Singh DK. Intermediate regime between metal and superconductor below T =100 K in NiSi Physical Review B. 94. DOI: 10.1103/PHYSREVB.94.184516  0.062
2016 Xu Q, Li Y, Zhang L, Zheng W, Singh DJ, Ma Y. Sn(II)-Containing Phosphates as Optoelectronic Materials Chemistry of Materials. 29: 2459-2465. DOI: 10.1021/acs.chemmater.6b03669  0.061
2012 Murray CJ, Vos T, Lozano R, Naghavi M, Flaxman AD, Michaud C, Ezzati M, Shibuya K, Salomon JA, Abdalla S, Aboyans V, Abraham J, Ackerman I, Aggarwal R, Ahn SY, ... ... Singh D, et al. Disability-adjusted life years (DALYs) for 291 diseases and injuries in 21 regions, 1990-2010: a systematic analysis for the Global Burden of Disease Study 2010. Lancet. 380: 2197-223. PMID 23245608 DOI: 10.1016/S0140-6736(12)61689-4  0.061
2018 Liu J, Fan X, Shi Y, Singh DJ, Zheng W. Melting of Nanocrystalline Gold The Journal of Physical Chemistry C. 123: 907-914. DOI: 10.1021/Acs.Jpcc.8B10149  0.061
2020 Liu J, Fan X, Zheng W, Singh DJ, Shi Y. Nanocrystalline gold with small size: inverse Hall–Petch between mixed regime and super-soft regime Philosophical Magazine. 100: 2335-2351. DOI: 10.1080/14786435.2020.1765039  0.06
2015 Shanavas KV, Singh DJ. DopingSrTiO3supported FeSe by excess atoms and oxygen vacancies Physical Review B. 92. DOI: 10.1103/PHYSREVB.92.035144  0.059
2012 Yu ZG, Zhang J, Singh DJ, Wu P. First-principles investigation of nitrosyl formation in zirconia Physical Review B. 85. DOI: 10.1103/PHYSREVB.85.144106  0.059
1984 Singh D, Varshni YP. Comparative study of the bound states of static screened Coulomb and cut-off Coulomb potentials Physical Review A. 29: 2895-2898. DOI: 10.1103/PHYSREVA.29.2895  0.059
1984 Singh D, Varshni YP. Madelung constants for layer compounds Journal of Physics C: Solid State Physics. 17: L321-L323. DOI: 10.1088/0022-3719/17/12/002  0.058
2020 Lei B, Fu Y, Feng Z, Singh DJ. Quantum critical point and ferromagnetic semiconducting behavior in p -type FeAs2 Physical Review B. 101. DOI: 10.1103/physrevb.101.020404  0.058
1994 Singh D. Electric field gradients in BaTiO3 and KNbO3 Ferroelectrics. 153: 183-187. DOI: 10.1080/00150199408016564  0.057
2013 Pandey T, Singh DJ, Parker D, Singh AK. Thermoelectric properties of β-FeSi2 Journal of Applied Physics. 114: 153704. DOI: 10.1063/1.4825217  0.057
2016 Singh DK, Peter CT. Use of the Surface Electrocardiogram to Define the Nature of Challenging Arrhythmias. Cardiac Electrophysiology Clinics. 8: 1-24. PMID 26920165 DOI: 10.1016/j.ccep.2015.10.021  0.057
2013 Won S, Suenishi N, Singh D. Electrocardiogram artifact. Journal of Electrocardiology. 46: 375-6. PMID 23523145 DOI: 10.1016/j.jelectrocard.2013.01.011  0.057
2014 Shi H, Du M, Singh DJ, Sefat AS, Saparov BI. Ternary chalcogenides Cs2Zn3Se4 and Cs2Zn3Te4: Potential p-type Physical Review B. 90. DOI: 10.1103/Physrevb.90.184104  0.056
2021 Watego C, Whop LJ, Singh D, Mukandi B, Macoun A, Newhouse G, Drummond A, McQuire A, Stajic J, Kajlich H, Brough M. Black to the Future: Making the Case for Indigenist Health Humanities. International Journal of Environmental Research and Public Health. 18. PMID 34444453 DOI: 10.3390/ijerph18168704  0.056
2012 Chu S, Singh D, Wang J, Li E, Ong K. High optical performance and practicality of active plasmonic devices based on rhombohedral BiFeO3 Laser & Photonics Reviews. 6: 684-689. DOI: 10.1002/LPOR.201280022  0.055
1981 Singh D, Varshni YP. Debye temperatures for hexagonal crystals Physical Review B. 24: 4340-4347. DOI: 10.1103/PHYSREVB.24.4340  0.055
1983 Singh D, Varshni YP. Accurate eigenvalues and oscillator strengths for the exponential-cosine screened Coulomb potential Physical Review A. 28: 2606-2610. DOI: 10.1103/PHYSREVA.28.2606  0.054
1998 Gallet J, Mariot J, Journel L, Hague CF, Kappler J, Schmerber G, Singh DJ, Krill G, Goulon J, Rogalev A. Rh4dspin polarization of valence states in Co-Rh Physical Review B. 57: 7835-7840. DOI: 10.1103/PHYSREVB.57.7835  0.053
2019 Xu Y, He X, Zhong H, Singh DJ, Zhang L, Wang R. Solid salt confinement effect: An effective strategy to fabricate high crystalline polymer carbon nitride for enhanced photocatalytic hydrogen evolution Applied Catalysis B: Environmental. 246: 349-355. DOI: 10.1016/J.APCATB.2019.01.069  0.052
2021 Chen J, Fan X, Liu J, Gu C, Shi Y, Zheng W, Singh DJ. Interior Melting of Rapidly Heated Gold Nanoparticles. The Journal of Physical Chemistry Letters. 8170-8177. PMID 34415170 DOI: 10.1021/acs.jpclett.1c02081  0.052
2013 Singh DJ, Zhu T. INTRODUCTION TO THE TOPICAL ISSUE ON THERMOELECTRIC MATERIALS AND DEVICES Functional Materials Letters. 6: 1302001. DOI: 10.1142/S1793604713020013  0.052
2018 Bassman L, Rajak P, Kalia RK, Nakano A, Sha F, Sun J, Singh DJ, Aykol M, Huck P, Persson K, Vashishta P. Active learning for accelerated design of layered materials Npj Computational Materials. 4. DOI: 10.1038/s41524-018-0129-0  0.052
2013 Singh DJ. Itinerant origin of the ferromagnetic quantum critical point in Fe(Ga,Ge)3 Physical Review B. 88. DOI: 10.1103/PhysRevB.88.064422  0.052
2017 Sie S, Suriyawong N, Shi J, He X, Zhang L, Singh DJ, Lee M. Pb5 Sb8 S17 quantum dot-sensitized solar cells with an efficiency of 6% under 0.05 sun: Theoretical and experimental studies Progress in Photovoltaics: Research and Applications. 26: 205-213. DOI: 10.1002/PIP.2969  0.051
2020 Li Y, Wang L, Qiao Y, Gan Y, Singh DJ. Prediction of ternary alkaline-earth metal Sn(II) and Pb(II) chalcogenide semiconductors Physical Review Materials. 4. DOI: 10.1103/physrevmaterials.4.055004  0.051
1982 Singh D, Varshni YP. X-ray Debye temperature for hexagonal crystals Acta Crystallographica Section A. 38: 854-858. DOI: 10.1107/S0567739482001740  0.05
2010 Parker D, Singh DJ. First principles investigations of the thermoelectric behavior of tin sulfide Journal of Applied Physics. 108: 083712. DOI: 10.1063/1.3496661  0.05
2010 Singh D, Badhwar N. Paroxysmal Long R-P Tachycardia. Cardiac Electrophysiology Clinics. 2: 197-201. PMID 28770750 DOI: 10.1016/j.ccep.2010.01.002  0.05
2022 Shannon G, Morgan R, Zeinali Z, Brady L, Couto MT, Devakumar D, Eder B, Karadag O, Mukherjee M, Peres MFT, Ryngelblum M, Sabharwal N, Schonfield A, Silwane P, Singh D, et al. Intersectional insights into racism and health: not just a question of identity. Lancet (London, England). 400: 2125-2136. PMID 36502850 DOI: 10.1016/S0140-6736(22)02304-2  0.049
2009 Zhang L, T-Thienprasert J, Du M-, Singh DJ, Limpijumnong S. Publisher’s Note: Comment on “Spectroscopic Signatures of Novel Oxygen-Defect Complexes in Stoichiometrically Controlled CdSe” [Phys. Rev. Lett. 102 , 209601 (2009)] Physical Review Letters. 102: 209902. DOI: 10.1103/Physrevlett.102.209902  0.049
2021 Wang Y, Jia G, Cui X, Zhao X, Zhang Q, Gu L, Zheng L, Li LH, Wu Q, Singh DJ, Matsumura D, Tsuji T, Cui Y, Zhao J, Zheng W. Coordination Number Regulation of Molybdenum Single-Atom Nanozyme Peroxidase-like Specificity Chem. 7: 436-449. DOI: 10.1016/j.chempr.2020.10.023  0.047
2021 Singh DE, Marinescu MC, Guzmán-Merino M, Durán C, Delgado-Sanz C, Gomez-Barroso D, Carretero J. Simulation of COVID-19 Propagation Scenarios in the Madrid Metropolitan Area. Frontiers in Public Health. 9: 636023. PMID 33796497 DOI: 10.3389/fpubh.2021.636023  0.047
2012 Jellison GE, Specht ED, Boatner LA, Singh DJ, Melcher CL. Spectroscopic refractive indices of monoclinic single crystal and ceramic lutetium oxyorthosilicate from 200 to 850 nm Journal of Applied Physics. 112: 063524. DOI: 10.1063/1.4752421  0.046
2020 Bond CJ, Singh D. More than a refresh required for closing the gap of Indigenous health inequality. The Medical Journal of Australia. PMID 32030749 DOI: 10.5694/mja2.50498  0.046
2012 Vos T, Flaxman AD, Naghavi M, Lozano R, Michaud C, Ezzati M, Shibuya K, Salomon JA, Abdalla S, Aboyans V, Abraham J, Ackerman I, Aggarwal R, Ahn SY, Ali MK, ... ... Singh D, et al. Years lived with disability (YLDs) for 1160 sequelae of 289 diseases and injuries 1990-2010: a systematic analysis for the Global Burden of Disease Study 2010. Lancet. 380: 2163-96. PMID 23245607 DOI: 10.1016/S0140-6736(12)61729-2  0.046
2021 Aksu T, De Potter T, John L, Osorio J, Singh D, Alyesh D, Baysal E, Kumar K, Mikaeili J, Dal Forno A, Yalin K, Akdemir B, Woods CE, Salcedo J, Eftekharzadeh M, et al. Procedural and Short-term Results of Electroanatomic-Mapping-Guided Ganglionated Plexus Ablation by First-Time Operators: A Multicenter Study. Journal of Cardiovascular Electrophysiology. PMID 34674347 DOI: 10.1111/jce.15278  0.046
2023 Sherratt K, Gruson H, Grah R, Johnson H, Niehus R, Prasse B, Sandmann F, Deuschel J, Wolffram D, Abbott S, Ullrich A, Gibson G, Ray EL, Reich NG, Sheldon D, ... ... Singh DE, et al. Predictive performance of multi-model ensemble forecasts of COVID-19 across European nations. Elife. 12. PMID 37083521 DOI: 10.7554/eLife.81916  0.045
2024 Aksu T, Tung R, De Potter T, Markman TM, Santangeli P, du Fay de Lavallaz J, Winterfield JR, Baykaner T, Alyesh D, Joza JE, Gopinathannair R, Badertscher P, Do DH, Hussein A, Osorio J, ... ... Singh D, et al. Cardioneuroablation for the management of patients with recurrent vasovagal syncope and symptomatic bradyarrhythmias: the CNA-FWRD Registry. Journal of Interventional Cardiac Electrophysiology : An International Journal of Arrhythmias and Pacing. PMID 38499825 DOI: 10.1007/s10840-024-01789-9  0.044
2016 Singh DK, Badhwar N. Implantable Cardioverter-Defibrillator Shock Caused by Uncommon Variety of Nonreentrant Atrioventricular Nodal Tachycardia. Cardiac Electrophysiology Clinics. 8: 57-60. PMID 26920170 DOI: 10.1016/j.ccep.2015.10.004  0.043
2023 Osorio J, Zei PC, Díaz JC, Varley AL, Morales GX, Silverstein JR, Oza SR, D'Souza B, Singh D, Moretta A, Metzl MD, Hoyos C, Matos CD, Rivera E, Magnano A, et al. High-Frequency Low-Tidal-Volume Ventilation Improves Long-Term Outcomes in Atrial Fibrillation Ablation: A Multicenter Prospective Study. Jacc. Clinical Electrophysiology. PMID 37294263 DOI: 10.1016/j.jacep.2023.05.015  0.04
2020 Singh DE, Marinescu MC, Carretero J, Delgado-Sanz C, Gomez-Barroso D, Larrauri A. Evaluating the impact of the weather conditions on the influenza propagation. Bmc Infectious Diseases. 20: 265. PMID 32248792 DOI: 10.1186/S12879-020-04977-W  0.04
2013 Murray CJ, Atkinson C, Bhalla K, Birbeck G, Burstein R, Chou D, Dellavalle R, Danaei G, Ezzati M, Fahimi A, Flaxman D, Foreman, Gabriel S, Gakidou E, Kassebaum N, ... ... Singh D, et al. The state of US health, 1990-2010: burden of diseases, injuries, and risk factors. Jama. 310: 591-608. PMID 23842577 DOI: 10.1001/Jama.2013.13805  0.038
2010 Singh D, Cingolani E, Diamond GA, Kaul S. Dronedarone for atrial fibrillation have we expanded the antiarrhythmic armamentarium? Journal of the American College of Cardiology. 55: 1569-76. PMID 20378073 DOI: 10.1016/j.jacc.2009.10.071  0.038
2001 Janotti A, Wei S, Singh DJ. First-principles study of the stability of BN and C Physical Review B. 64. DOI: 10.1103/PHYSREVB.64.174107  0.038
2020 Askew DA, Brady K, Mukandi B, Singh D, Sinha T, Brough M, Bond CJ. Closing the gap between rhetoric and practice in strengths-based approaches to Indigenous public health: a qualitative study. Australian and New Zealand Journal of Public Health. PMID 31914233 DOI: 10.1111/1753-6405.12953  0.037
2020 Cao G, Song K, Qiao L, Guo J, Han W, Shen X, Du K, Zhang J, Singh DJ, Gao Y. Vertical Strain Engineering of Epitaxial La 2/3 Sr 1/3 MnO 3 Thin Films by Spontaneously Embedding ZrO 2 Nanopillar Arrays Advanced Materials Interfaces. 8: 2001355. DOI: 10.1002/admi.202001355  0.036
2011 Martín G, Marinescu MC, Singh DE, Carretero J. Leveraging social networks for understanding the evolution of epidemics. Bmc Systems Biology. 5: S14. PMID 22784620 DOI: 10.1186/1752-0509-5-S3-S14  0.036
2021 Guzmán-Merino M, Durán C, Marinescu MC, Delgado-Sanz C, Gomez-Barroso D, Carretero J, Singh DE. Assessing population-sampling strategies for reducing the COVID-19 incidence. Computers in Biology and Medicine. 139: 104938. PMID 34678482 DOI: 10.1016/j.compbiomed.2021.104938  0.036
2021 Varley AL, Kreidieh O, Godfrey BE, Whitmire C, Thorington S, D'Souza B, Kang S, Hebsur S, Ravindran BK, Zishiri E, Gidney B, Sellers MB, Singh D, Salam T, Metzl M, et al. A prospective multi-site registry of real-world experience of catheter ablation for treatment of symptomatic paroxysmal and persistent atrial fibrillation (Real-AF): design and objectives. Journal of Interventional Cardiac Electrophysiology : An International Journal of Arrhythmias and Pacing. PMID 34212280 DOI: 10.1007/s10840-021-01031-w  0.036
1982 Singh D, Varshni YP. Second-sound velocities in hexagonal crystals Physical Review B. 25: 7376-7381. DOI: 10.1103/PHYSREVB.25.7376  0.036
2020 Neu J, Graf D, Wei K, Gaiser A, Xin Y, Lai Y, Albrecht-Schmitt TE, Baumbach R, Singh DJ, Siegrist T. Superstructures and Superconductivity Linked with Pd Intercalation in Nb2PdxSe5 Chemistry of Materials. DOI: 10.1021/Acs.Chemmater.0C02291  0.035
2020 Liu J, Fan X, Shi Y, Singh DJ, Zheng W. The Effect of Strain Rate on the Deformation Processes of NC Gold with Small Grain Size Crystals. 10: 858. DOI: 10.3390/CRYST10100858  0.034
2019 Hoffmayer KS, Han FT, Singh D, Scheinman MM. Variants of accessory pathways. Pacing and Clinical Electrophysiology : Pace. PMID 31682283 DOI: 10.1111/pace.13830  0.033
2012 Salomon JA, Vos T, Hogan DR, Gagnon M, Naghavi M, Mokdad A, Begum N, Shah R, Karyana M, Kosen S, Farje MR, Moncada G, Dutta A, Sazawal S, Dyer A, ... ... Singh D, et al. Common values in assessing health outcomes from disease and injury: disability weights measurement study for the Global Burden of Disease Study 2010. Lancet. 380: 2129-43. PMID 23245605 DOI: 10.1016/S0140-6736(12)61680-8  0.033
1997 Singh DJ. Magnetoelectronic effects in pyrochloreTl2Mn2O7: Role of Tl-O covalency Physical Review B. 55: 313-316. DOI: 10.1103/PHYSREVB.55.313  0.033
2024 Kreidieh O, Hunter TD, Goyal S, Varley AL, Thorne C, Osorio J, Silverstein J, Varosy P, Metzl M, Leyton-Mange J, Singh D, Rajendra A, Moretta A, Zei PC. Predictors of first pass isolation of the pulmonary veins in real world ablations: An analysis of 2671 patients from the REAL-AF registry. Journal of Cardiovascular Electrophysiology. PMID 38282445 DOI: 10.1111/jce.16190  0.032
2019 Sharma SP, Singh D, Nakamura D, Gopinathannair R, Lakkireddy D. Incomplete endothelialization of WatchmanTM Device: Predictors and Implications from Two Cases. Journal of Atrial Fibrillation. 11: 2162. PMID 31139304 DOI: 10.4022/jafib.2162  0.031
2020 Chen J, Fan X, Liu J, Gu C, Shi Y, Singh DJ, Zheng W. Heating-Rate and Particle-Size Effects on Melting Process of Au Nanoparticles Journal of Physical Chemistry C. 124: 7414-7420. DOI: 10.1021/Acs.Jpcc.9B10769  0.03
2000 Sjöstedt E, Nordström L, Singh D. An alternative way of linearizing the augmented plane-wave method Solid State Communications. 114: 15-20. DOI: 10.1016/S0038-1098(99)00577-3  0.03
2019 Putatunda A, Singh D. Lorenz number in relation to estimates based on the Seebeck coefficient Materials Today Physics. 8: 49-55. DOI: 10.1016/J.MTPHYS.2019.01.001  0.03
2012 McGuire MA, Ghimire N, Singh DJ. Ferromagnetism in ZrFe 12-xAl x and HfFe 12-xAl x (x 6.0, 6.5, 7.0) Journal of Applied Physics. 111. DOI: 10.1063/1.4712445  0.029
2012 Jellison GE, Boatner LA, Ramey JO, Kolopus JA, Ramey LA, Singh DJ. Refractive index of sodium iodide Journal of Applied Physics. 111: 043521. DOI: 10.1063/1.3689746  0.029
2007 Singh D, Whooley MA, Ix JH, Ali S, Shlipak MG. Association of cystatin C and estimated GFR with inflammatory biomarkers: The Heart and Soul Study Nephrology Dialysis Transplantation. 22: 1087-1092. PMID 17210589 DOI: 10.1093/ndt/gfl744  0.029
2021 Liu J, Fan X, Gu C, Shi Y, Singh DJ, Zheng W. Effect of voids on nanocrystalline gold ultrathin film Computational Materials Science. 189: 110255. DOI: 10.1016/J.COMMATSCI.2020.110255  0.028
2021 Wu J, Cui X, Fan J, Zhao J, Zhang Q, Jia G, Wu Q, Zhang D, Hou C, Xu S, Jiao D, Gu L, Singh DJ, Zheng W. Stable Bimetallene Hydride Boosts Anodic CO Tolerance of Fuel Cells Acs Energy Letters. 6: 1912-1919. DOI: 10.1021/ACSENERGYLETT.1C00614  0.027
2009 Singh D, Cercek B, Fuller C, Siegel R. Intestinopericardial fistula presenting as cardiac tamponade. The American Journal of Cardiology. 103: 1178-9. PMID 19361611 DOI: 10.1016/j.amjcard.2008.12.036  0.027
2015 Abdul Ghani OA, Singh D. Acute Rheumatic Carditis: A Rare Cause for Reversible Complete Heart Block. Hawai'I Journal of Medicine & Public Health : a Journal of Asia Pacific Medicine & Public Health. 74: 341-4. PMID 26535164  0.025
2022 Veillet-Chowdhury M, Dabbagh GS, Benton SM, Hill AM, Lee JH, Singleton MJ, Fazio GP, Harvey JE, Samady H, Singh D, Khanji MY, Nazarian S, Pugliese F, Obeng-Gyimah E, Schuler BT, et al. CT-Guided Direct Current Cardioversion for Atrial Arrhythmias During the COVID-19 Pandemic. Jacc. Cardiovascular Imaging. 16: 135-137. PMID 36599561 DOI: 10.1016/j.jcmg.2022.08.009  0.024
1992 Singh DJ, Boyer LL. First principles analysis of vibrational modes in KNbO3 Ferroelectrics. 136: 95-103. DOI: 10.1080/00150199208016069  0.023
1985 Varshni YP, Singh D. Common lines in the rest-frame absorption-line spectra of QSOs? Astrophysics and Space Science. 109: 149-153. DOI: 10.1007/BF00651022  0.021
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