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Keivan Esfarjani, Ph.D. - Publications

Affiliations: 
Mechanical Engineering Massachusetts Institute of Technology, Cambridge, MA, United States 
 2016- Mechanical Engineering University of Virginia, Charlottesville, VA 
Area:
Electron and phonon transport
Website:
http://faculty.virginia.edu/esfarjani/UVA/Home.html
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84 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2020 Sadeghi SN, Allaei SMV, Zebarjadi M, Esfarjani K. Ultra-high lattice thermal conductivity and the effect of pressure in superhard hexagonal BC2N Journal of Materials Chemistry C. DOI: 10.1039/D0Tc01615B  0.389
2020 Ding Z, Ridley M, Deijkers J, Liu N, Hoque MSB, Gaskins J, Zebarjadi M, Hopkins PE, Wadley H, Opila E, Esfarjani K. The thermal and mechanical properties of hafnium orthosilicate: Experiments and first-principles calculations Materialia. 12: 100793. DOI: 10.1016/J.Mtla.2020.100793  0.382
2019 Esfarjani K, Chui ST, Qiu X. Dislocation waves in a two-dimensional Coulomb lattice. Physical Review. B, Condensed Matter. 46: 4638-4643. PMID 10004220 DOI: 10.1103/Physrevb.46.4638  0.307
2019 Markov M, Rezaei SE, Sadeghi SN, Esfarjani K, Zebarjadi M. Thermoelectric properties of semimetals Physical Review Materials. 3. DOI: 10.1103/Physrevmaterials.3.095401  0.361
2019 Nayeb Sadeghi S, Zebarjadi M, Esfarjani K. Non-linear enhancement of thermoelectric performance of a TiSe2 monolayer due to tensile strain, from first-principles calculations Journal of Materials Chemistry C. 7: 7308-7317. DOI: 10.1039/C9Tc00183B  0.345
2018 Markov M, Hu X, Liu HC, Liu N, Poon SJ, Esfarjani K, Zebarjadi M. Semi-metals as potential thermoelectric materials. Scientific Reports. 8: 9876. PMID 29959341 DOI: 10.1038/S41598-018-28043-3  0.405
2018 Wang X, Zebarjadi M, Esfarjani K. High-Performance Solid-State Thermionic Energy Conversion Based on 2D van der Waals Heterostructures: A First-Principles Study. Scientific Reports. 8: 9303. PMID 29915282 DOI: 10.1038/S41598-018-27430-0  0.32
2018 Seif A, DeGottardi W, Esfarjani K, Hafezi M. Thermal management and non-reciprocal control of phonon flow via optomechanics. Nature Communications. 9: 1207. PMID 29572521 DOI: 10.1038/S41467-018-03624-Y  0.367
2018 Khazaei M, Ranjbar A, Esfarjani K, Bogdanovski D, Dronskowski R, Yunoki S. Insights into exfoliation possibility of MAX phases to MXenes. Physical Chemistry Chemical Physics : Pccp. PMID 29557432 DOI: 10.1039/C7Cp08645H  0.315
2018 Scott EA, Hattar K, Rost CM, Gaskins JT, Fazli M, Ganski C, Li C, Bai T, Wang Y, Esfarjani K, Goorsky M, Hopkins PE. Phonon scattering effects from point and extended defects on thermal conductivity studied via ion irradiation of crystals with self-impurities Physical Review Materials. 2. DOI: 10.1103/Physrevmaterials.2.095001  0.312
2017 Wang X, Esfarjani K, Zebarjadi M. First-Principles Calculation of Charge Transfer at the Silicon–Organic Interface The Journal of Physical Chemistry C. 121: 15529-15537. DOI: 10.1021/Acs.Jpcc.7B03275  0.327
2016 Wang X, Zebarjadi M, Esfarjani K. First principles calculations of solid-state thermionic transport in layered van der Waals heterostructures. Nanoscale. PMID 27314610 DOI: 10.1039/C6Nr02436J  0.368
2016 Romano G, Esfarjani K, Strubbe DA, Broido D, Kolpak AM. Temperature-dependent thermal conductivity in silicon nanostructured materials studied by the Boltzmann transport equation Physical Review B - Condensed Matter and Materials Physics. 93. DOI: 10.1103/Physrevb.93.035408  0.406
2015 Zhou J, Liao B, Qiu B, Huberman S, Esfarjani K, Dresselhaus MS, Chen G. Ab initio optimization of phonon drag effect for lower-temperature thermoelectric energy conversion. Proceedings of the National Academy of Sciences of the United States of America. 112: 14777-82. PMID 26627231 DOI: 10.1073/Pnas.1512328112  0.464
2015 Chiloyan V, Garg J, Esfarjani K, Chen G. Transition from near-field thermal radiation to phonon heat conduction at sub-nanometre gaps. Nature Communications. 6: 6755. PMID 25849305 DOI: 10.1038/Ncomms7755  0.412
2015 Liao B, Qiu B, Zhou J, Huberman S, Esfarjani K, Chen G. Significant reduction of lattice thermal conductivity by the electron-phonon interaction in silicon with high carrier concentrations: a first-principles study. Physical Review Letters. 114: 115901. PMID 25839292 DOI: 10.1103/Physrevlett.114.115901  0.478
2015 Lee S, Broido D, Esfarjani K, Chen G. Hydrodynamic phonon transport in suspended graphene. Nature Communications. 6: 6290. PMID 25693180 DOI: 10.1038/Ncomms7290  0.399
2015 Yang N, Luo T, Esfarjani K, Henry A, Tian Z, Shiomi J, Chalopin Y, Li B, Chen G. Thermal Interface Conductance Between Aluminum and Silicon by Molecular Dynamics Simulations Journal of Computational and Theoretical Nanoscience. 12: 168-174. DOI: 10.1166/Jctn.2015.3710  0.45
2015 Mendoza J, Esfarjani K, Chen G. An ab initio study of multiple phonon scattering resonances in silicon germanium alloys Journal of Applied Physics. 117. DOI: 10.1063/1.4919661  0.418
2015 Tabatabaei M, Shodja HM, Esfarjani K. Gap tuning and effective electron correlation energy in amorphous silicon: A first principles density functional theory-based molecular dynamics study Computational Materials Science. 102: 110-118. DOI: 10.1016/J.Commatsci.2015.02.014  0.346
2014 Lee S, Esfarjani K, Luo T, Zhou J, Tian Z, Chen G. Resonant bonding leads to low lattice thermal conductivity. Nature Communications. 5: 3525. PMID 24770354 DOI: 10.1038/Ncomms4525  0.427
2014 Esfarjani K, Garg J, Chen G. MODELING HEAT CONDUCTION FROM FIRST PRINCIPLES Annual Review of Heat Transfer. 17: 9-47. DOI: 10.1615/Annualrevheattransfer.2014007746  0.34
2014 Tian Z, Esfarjani K, Chen G. Green's function studies of phonon transport across Si/Ge superlattices Physical Review B. 89. DOI: 10.1103/Physrevb.89.235307  0.358
2014 Lee S, Esfarjani K, Mendoza J, Dresselhaus MS, Chen G. Lattice thermal conductivity of Bi, Sb, and Bi-Sb alloy from first principles Physical Review B - Condensed Matter and Materials Physics. 89. DOI: 10.1103/Physrevb.89.085206  0.478
2014 Liao B, Lee S, Esfarjani K, Chen G. First-principles study of thermal transport inFeSb2 Physical Review B. 89. DOI: 10.1103/Physrevb.89.035108  0.491
2014 Shodja HM, Tabatabaei M, Esfarjani K. First principles molecular dynamics studies of elastic constants, ideal tensile strength, chemistry of crack initiation, and surface and cohesive energies in amorphous silicon Philosophical Magazine. 94: 2913-2936. DOI: 10.1080/14786435.2014.939735  0.354
2013 Zhang Q, Liao B, Lan Y, Lukas K, Liu W, Esfarjani K, Opeil C, Broido D, Chen G, Ren Z. High thermoelectric performance by resonant dopant indium in nanostructured SnTe. Proceedings of the National Academy of Sciences of the United States of America. 110: 13261-6. PMID 23901106 DOI: 10.1073/Pnas.1305735110  0.444
2013 Zebarjadi M, Liao B, Esfarjani K, Dresselhaus M, Chen G. Enhancing the thermoelectric power factor by using invisible dopants. Advanced Materials (Deerfield Beach, Fla.). 25: 1577-82. PMID 23325546 DOI: 10.1002/Adma.201204802  0.401
2013 Murakami T, Shiga T, Hori T, Esfarjani K, Shiomi J. Importance of local force fields on lattice thermal conductivity reduction in PbTe 1−x Se x alloys Epl (Europhysics Letters). 102: 46002. DOI: 10.1209/0295-5075/102/46002  0.347
2013 Luo T, Garg J, Shiomi J, Esfarjani K, Chen G. Gallium arsenide thermal conductivity and optical phonon relaxation times from first-principles calculations Epl (Europhysics Letters). 101: 16001. DOI: 10.1209/0295-5075/101/16001  0.468
2013 Liao B, Zebarjadi M, Esfarjani K, Chen G. Isotropic and energy-selective electron cloaks on graphene Physical Review B - Condensed Matter and Materials Physics. 88. DOI: 10.1103/Physrevb.88.155432  0.343
2013 Collins KC, Maznev AA, Tian Z, Esfarjani K, Nelson KA, Chen G. Non-diffusive relaxation of a transient thermal grating analyzed with the Boltzmann transport equation Journal of Applied Physics. 114. DOI: 10.1063/1.4820572  0.411
2013 Maznev AA, Hofmann F, Jandl A, Esfarjani K, Bulsara MT, Fitzgerald EA, Chen G, Nelson KA. Lifetime of sub-THz coherent acoustic phonons in a GaAs-AlAs superlattice Applied Physics Letters. 102. DOI: 10.1063/1.4789520  0.41
2012 Luckyanova MN, Garg J, Esfarjani K, Jandl A, Bulsara MT, Schmidt AJ, Minnich AJ, Chen S, Dresselhaus MS, Ren Z, Fitzgerald EA, Chen G. Coherent phonon heat conduction in superlattices. Science (New York, N.Y.). 338: 936-9. PMID 23161996 DOI: 10.1126/Science.1225549  0.407
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  0.422
2012 Liao B, Zebarjadi M, Esfarjani K, Chen G. Cloaking core-shell nanoparticles from conducting electrons in solids. Physical Review Letters. 109: 126806. PMID 23005976 DOI: 10.1103/Physrevlett.109.126806  0.378
2012 Tian Z, Esfarjani K, Chen G. Enhancing phonon transmission across a Si/Ge interface by atomic roughness: First-principles study with the Green's function method Physical Review B. 86. DOI: 10.1103/Physrevb.86.235304  0.351
2012 Chalopin Y, Esfarjani K, Henry A, Volz S, Chen G. Thermal interface conductance in Si/Ge superlattices by equilibrium molecular dynamics Physical Review B. 85. DOI: 10.1103/Physrevb.85.195302  0.373
2012 Tian Z, Garg J, Esfarjani K, Shiga T, Shiomi J, Chen G. Phonon conduction in PbSe, PbTe, and PbTe1−xSexfrom first-principles calculations Physical Review B. 85. DOI: 10.1103/Physrevb.85.184303  0.449
2012 Shiga T, Shiomi J, Ma J, Delaire O, Radzynski T, Lusakowski A, Esfarjani K, Chen G. Microscopic mechanism of low thermal conductivity in lead telluride Physical Review B - Condensed Matter and Materials Physics. 85. DOI: 10.1103/Physrevb.85.155203  0.452
2012 Yan X, Liu W, Wang H, Chen S, Shiomi J, Esfarjani K, Wang H, Wang D, Chen G, Ren Z. Stronger phonon scattering by larger differences in atomic mass and size in p-type half-Heuslers Hf1−xTixCoSb0.8Sn0.2 Energy & Environmental Science. 5: 7543. DOI: 10.1039/C2Ee21554C  0.412
2012 Zebarjadi M, Esfarjani K, Dresselhaus MS, Ren ZF, Chen G. Perspectives on thermoelectrics: From fundamentals to device applications Energy and Environmental Science. 5: 5147-5162. DOI: 10.1039/C1Ee02497C  0.406
2012 Zhang Q, Wang H, Liu W, Wang H, Yu B, Zhang Q, Tian Z, Ni G, Lee S, Esfarjani K, Chen G, Ren Z. Enhancement of thermoelectric figure-of-merit by resonant states of aluminium doping in lead selenide Energy Environ. Sci.. 5: 5246-5251. DOI: 10.1039/C1Ee02465E  0.409
2011 Khazaei M, Liang Y, Bahramy MS, Pichierri F, Esfarjani K, Kawazoe Y. High-pressure phases of hydrogen cyanide: formation of hydrogenated carbon nitride polymers and layers and their electronic properties. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 23: 405403. PMID 21937792 DOI: 10.1088/0953-8984/23/40/405403  0.318
2011 Minnich AJ, Johnson JA, Schmidt AJ, Esfarjani K, Dresselhaus MS, Nelson KA, Chen G. Thermal conductivity spectroscopy technique to measure phonon mean free paths. Physical Review Letters. 107: 095901. PMID 21929254 DOI: 10.1103/Physrevlett.107.095901  0.407
2011 Zebarjadi M, Esfarjani K, Bian Z, Shakouri A. Low-temperature thermoelectric power factor enhancement by controlling nanoparticle size distribution. Nano Letters. 11: 225-30. PMID 21141996 DOI: 10.1021/Nl103581Z  0.3
2011 Shiomi J, Esfarjani K, Chen G. Thermal conductivity of half-Heusler compounds from first-principles calculations Physical Review B. 84. DOI: 10.1103/Physrevb.84.104302  0.399
2011 Esfarjani K, Chen G, Stokes HT. Heat transport in silicon from first-principles calculations Physical Review B. 84. DOI: 10.1103/Physrevb.84.085204  0.469
2011 Tian Z, Esfarjani K, Shiomi J, Henry AS, Chen G. On the importance of optical phonons to thermal conductivity in nanostructures Applied Physics Letters. 99: 053122. DOI: 10.1063/1.3615709  0.412
2011 Luo T, Esfarjani K, Shiomi J, Henry A, Chen G. Molecular dynamics simulation of thermal energy transport in polydimethylsiloxane Journal of Applied Physics. 109: 074321. DOI: 10.1063/1.3569862  0.426
2010 Zebarjadi M, Esfarjani K, Yang J, Ren ZF, Chen G. Effect of filler mass and binding on thermal conductivity of fully filled skutterudites Physical Review B - Condensed Matter and Materials Physics. 82. DOI: 10.1103/Physrevb.82.195207  0.422
2010 Mingo N, Esfarjani K, Broido DA, Stewart DA. Cluster scattering effects on phonon conduction in graphene Physical Review B - Condensed Matter and Materials Physics. 81. DOI: 10.1103/Physrevb.81.045408  0.314
2008 Zebarjadi M, Shakouri A, Esfarjani K. Enhanced cooling in doped semiconductors due to nonlinear peltier effect Materials Research Society Symposium Proceedings. 1044: 427-434. DOI: 10.1557/Proc-1044-U10-04  0.333
2008 Cheraghchi H, Esfarjani K. Negative differential resistance in molecular junctions: Application to graphene ribbon junctions Physical Review B. 78. DOI: 10.1103/Physrevb.78.085123  0.304
2007 TANATAR B, SUBAŞI AL, ESFARJANI K, FAZELI SM. GROUND-STATE ENERGY AND COMPRESSIBILITY OF A DISORDERED TWO-DIMENSIONAL ELECTRON GAS International Journal of Modern Physics B. 21: 2134-2144. DOI: 10.1142/S0217979207043531  0.336
2007 Zebarjadi M, Esfarjani K, Shakouri A. Nonlinear Peltier effect in semiconductors Applied Physics Letters. 91. DOI: 10.1063/1.2785154  0.341
2007 Zebarjadi M, Bulutay C, Esfarjani K, Shakouri A. Monte Carlo simulation of electron transport in degenerate and inhomogeneous semiconductors Applied Physics Letters. 90. DOI: 10.1063/1.2709999  0.342
2006 Zebarjadi M, Shakouri A, Esfarjani K. Thermoelectric transport perpendicular to thin-film heterostructures calculated using the Monte Carlo technique Physical Review B - Condensed Matter and Materials Physics. 74. DOI: 10.1103/Physrevb.74.195331  0.309
2006 Esfarjani K, Zebarjadi M, Kawazoe Y. Thermoelectric properties of a nanocontact made of two-capped single-wall carbon nanotubes calculated within the tight-binding approximation Physical Review B - Condensed Matter and Materials Physics. 73. DOI: 10.1103/Physrevb.73.085406  0.377
2006 Saani MH, Esfarjani K, Hashemi H, Vesaghi MA, Basiri AR. Relationship between lattice relaxation and electron delocalization in diamond vacancies Physica B-Condensed Matter. 376: 324-326. DOI: 10.1016/J.Physb.2005.12.083  0.372
2006 Saani MH, Vesaghi MA, Esfarjani K, Shafiekhani A. Generalized Hubbard model for many-electron states of the diamond vacancies: A non-CI approach Physica Status Solidi (B). 243: 1269-1275. DOI: 10.1002/Pssb.200541032  0.383
2005 Esfarjani K, A. Farajian A, Kawazoe Y, Tat Chui S. Nonlinear Charging and Transport Times in Doped Nanotubes Junctions Journal of the Physical Society of Japan. 74: 515-518. DOI: 10.1143/Jpsj.74.515  0.31
2005 Heidari Saani M, Vesaghi MA, Esfarjani K, Ghods Elahi T, Sayari M, Hashemi H, Gorjizadeh N. Lattice relaxation in many-electron states of the diamond vacancy Physical Review B. 71. DOI: 10.1103/Physrevb.71.035202  0.33
2005 Shokri AA, Esfarjani K. Properties of charge and magnetic impurities in a spin-polarized electron gas: A semiclassical approach Physica E: Low-Dimensional Systems and Nanostructures. 28: 313-322. DOI: 10.1016/J.Physe.2005.04.003  0.307
2005 Mardaani M, Shokri AA, Esfarjani K. Analytical results on coherent conductance in a general periodic quantum dot: Transfer matrix method Physica E: Low-Dimensional Systems and Nanostructures. 28: 150-161. DOI: 10.1016/J.Physe.2005.03.005  0.334
2005 Mardaani M, Esfarjani K. Coherent conductance in an alternating dot: exact results Physica E: Low-Dimensional Systems and Nanostructures. 27: 227-234. DOI: 10.1016/J.Physe.2004.11.012  0.337
2005 Mardaani M, Esfarjani K. Analytical results on ballistic transport in a periodic molecular wire Chemical Physics. 317: 43-48. DOI: 10.1016/J.Chemphys.2005.05.031  0.378
2004 Heidari Saani M, Vesaghi MA, Esfarjani K. Oscillator strength calculations in color centers of diamond and the role of spin The European Physical Journal B. 39: 441-446. DOI: 10.1140/Epjb/E2004-00215-9  0.337
2004 Mardaani M, Esfarjani K. Some analytical results in phase coherent transport in quantum wire Physica E: Low-Dimensional Systems and Nanostructures. 25: 119-130. DOI: 10.1016/J.Physe.2004.06.057  0.303
2004 Heidari Saani M, Vesaghi M, Esfarjani K, Shafiekhani A. Details of a theoretical model for electronic structure of the diamond vacancies Diamond and Related Materials. 13: 2125-2130. DOI: 10.1016/J.Diamond.2004.06.006  0.384
2002 Farajian A, Esfarjani K, Mizuseki H, Kawazoe Y. Electron-interaction effects on transport characteristics of nanotubes Physica B: Condensed Matter. 323: 242-243. DOI: 10.1016/S0921-4526(02)00978-X  0.317
2001 Kawazoe Y, Ohno K, Esfarjani K, Maruyama Y, Shiga K, Farajian A. Why the all-electron full-potential approach is suitable for calculations on fullerenes and nanotubes? Journal of Molecular Graphics & Modelling. 19: 270-4. PMID 11391880 DOI: 10.1016/S1093-3263(00)00089-9  0.356
2001 Esfarjani K, Farajian A, Ebrahimi F, Kawazoe Y. Transport properties of a nanotube-based transistor The European Physical Journal D. 16: 353-355. DOI: 10.1007/S100530170128  0.33
1999 Farajian AA, Esfarjani K, Kawazoe Y. Nonlinear Coherent Transport Through Doped Nanotube Junctions Physical Review Letters. 82: 5084-5087. DOI: 10.1103/Physrevlett.82.5084  0.329
1999 Farajian AA, Ohno K, Esfarjani K, Maruyama Y, Kawazoe Y. Ab Initio study of dopant insertion into carbon nanotubes The Journal of Chemical Physics. 111: 2164-2168. DOI: 10.1063/1.479487  0.327
1999 Esfarjani K, Farajian AA, Hashi Y, Kawazoe Y. Electronic and transport properties of N-P doped nanotubes Applied Physics Letters. 74: 79-81. DOI: 10.1063/1.122957  0.36
1998 Esfarjani K, Kawazoe Y. Self-consistent tight-binding formalism for charged systems Journal of Physics: Condensed Matter. 10: 8257-8267. DOI: 10.1088/0953-8984/10/37/012  0.312
1997 Esfarjani K, Hashi Y, Itoh S, Ihara S, Kawazoe Y. Stability and vibrational spectra of toroidal isomers of $C_{240}$ Zeitschrift F�R Physik D Atoms, Molecules and Clusters. 41: 73-76. DOI: 10.1007/S004600050292  0.327
1996 ESFARJANI K, OHNO K, KAWAZOE Y. ELECTRONIC PROPERTIES OF C58BN HETEROFULLERENES Surface Review and Letters. 3: 747-752. DOI: 10.1142/S0218625X96001340  0.377
1996 Esfarjani K, Ohno K, Kawazoe Y, Gu B. Effect of orientation on the band structure of C58BN hetero-fullerenes in fcc solid phase Solid State Communications. 97: 539-542. DOI: 10.1016/0038-1098(95)00617-6  0.341
1995 Esfarjani K, Kawazoe Y. A bilayer of Wigner crystal in the harmonic approximation Journal of Physics: Condensed Matter. 7: 7217-7226. DOI: 10.1088/0953-8984/7/36/011  0.309
1994 Esfarjani K, Ohno K, Kawazoe Y. Search for the Ground State of C60B10 Mrs Proceedings. 359. DOI: 10.1557/Proc-359-229  0.368
1994 Esfarjani K, Gu B, Maruyama Y, Ohno K, Kawazoe Y. Electronic Properties of C58Bn Fullerenes Mrs Proceedings. 349. DOI: 10.1557/Proc-349-225  0.356
1991 Chui ST, Esfarjani K. Finite-temperature transport of a pinned 2D electron lattice. Physical Review Letters. 66: 652-654. PMID 10043864 DOI: 10.1103/Physrevlett.66.652  0.331
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