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Renata M. M. Wentzcovitch - Publications

Affiliations: 
2017 Physics University of Minnesota, Twin Cities, Minneapolis, MN 
 2017- Applied Physics and Applied Mathematics Columbia University, New York, NY 
Area:
Solid State Physics, Condensed Matter Physics, Geophysics
Website:
https://www.apam.columbia.edu/faculty/renata-wentzcovitch
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154 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
2024 Sun Y, Mendelev MI, Zhang F, Liu X, Da B, Wang CZ, Wentzcovitch RM, Ho KM. Unveiling the effect of Ni on the formation and structure of Earth's inner core. Proceedings of the National Academy of Sciences of the United States of America. 121: e2316477121. PMID 38236737 DOI: 10.1073/pnas.2316477121  0.353
2023 Zhang Z, Sun Y, Wentzcovitch RM. PBE-GGA predicts the B8↔B2 phase boundary of FeO at Earth's core conditions. Proceedings of the National Academy of Sciences of the United States of America. 120: e2304726120. PMID 37399372 DOI: 10.1073/pnas.2304726120  0.418
2022 Liu J, Sun Y, Lv C, Zhang F, Fu S, Prakapenka VB, Wang C, Ho K, Lin J, Wentzcovitch RM. Iron-rich Fe-O compounds at Earth's core pressures. Innovation (Cambridge (Mass.)). 4: 100354. PMID 36457892 DOI: 10.1016/j.xinn.2022.100354  0.312
2022 Sun Y, Zhang F, Mendelev MI, Wentzcovitch RM, Ho KM. Two-step nucleation of the Earth's inner core. Proceedings of the National Academy of Sciences of the United States of America. 119. PMID 34987099 DOI: 10.1073/pnas.2113059119  0.476
2021 Wang R, Sun Y, Wentzcovitch RM, Zheng F, Fang Y, Wu S, Lin Z, Wang C, Ho K. Prediction of crystal structures and motifs in the Fe–Mg–O system at Earth’s core pressures New Journal of Physics. 23: 063050. DOI: 10.1088/1367-2630/ac0287  0.491
2020 Sun Y, Cococcioni M, Wentzcovitch RM. LDA+Usc calculations of phase relations in FeO Physical Review Materials. 4. DOI: 10.1103/Physrevmaterials.4.063605  0.531
2020 Houser C, Hernlund JW, Valencia-Cardona J, Wentzcovitch RM. Discriminating lower mantle composition Physics of the Earth and Planetary Interiors. 308: 106552. DOI: 10.1016/J.Pepi.2020.106552  0.339
2019 Wentzcovitch RM, Schulz WW, Allen PB. Wentzcovitch et al. reply. Physical Review Letters. 73: 3043. PMID 10057271 DOI: 10.1103/Physrevlett.73.3043  0.629
2019 Wentzcovitch RM, Schulz WW, Allen PB. VO2: Peierls or Mott-Hubbard? A view from band theory. Physical Review Letters. 72: 3389-3392. PMID 10056186 DOI: 10.1103/Physrevlett.72.3389  0.698
2019 Wentzcovitch RM, Martins JL, Price GD. Ab initio molecular dynamics with variable cell shape: Application to MgSiO3. Physical Review Letters. 70: 3947-3950. PMID 10054006 DOI: 10.1103/Physrevlett.70.3947  0.459
2019 Allen PB, Wentzcovitch RM, Schulz WW, Canfield PC. Resistivity of the high-temperature metallic phase of VO2. Physical Review. B, Condensed Matter. 48: 4359-4363. PMID 10008907 DOI: 10.1103/Physrevb.48.4359  0.69
2019 Althoff JD, Allen PB, Wentzcovitch RM, Moriarty JA. Phase diagram and thermodynamic properties of solid magnesium in the quasiharmonic approximation. Physical Review. B, Condensed Matter. 48: 13253-13260. PMID 10007716 DOI: 10.1103/Physrevb.48.13253  0.728
2019 Wentzcovitch RM, Martins JL, Allen PB. Energy versus free-energy conservation in first-principles molecular dynamics. Physical Review. B, Condensed Matter. 45: 11372-11374. PMID 10001073 DOI: 10.1103/Physrevb.45.11372  0.675
2019 Leung C, Weinert M, Allen PB, Wentzcovitch RM. First-principles study of titanium oxides. Physical Review. B, Condensed Matter. 54: 7857-7864. PMID 9984460 DOI: 10.1103/Physrevb.54.7857  0.704
2019 Wentzcovitch RM, Chang KJ, Cohen ML. Electronic and structural properties of BN and BP. Physical Review. B, Condensed Matter. 34: 1071-1079. PMID 9939723 DOI: 10.1103/Physrevb.34.1071  0.636
2019 Umemoto K, Wentzcovitch RM. Ab initio exploration of post-PPV transitions in low-pressure analogs of MgSiO3 Physical Review Materials. 3. DOI: 10.1103/Physrevmaterials.3.123601  0.383
2017 Ghaderi N, Zhang DB, Zhang H, Xian J, Wentzcovitch RM, Sun T. Lattice Thermal Conductivity of MgSiO3 Perovskite from First Principles. Scientific Reports. 7: 5417. PMID 28710371 DOI: 10.1038/s41598-017-05523-6  0.393
2017 Umemoto K, Wentzcovitch RM. First principles study of volume isotope effects in ices VIII and X Japanese Journal of Applied Physics. 56. DOI: 10.7567/Jjap.56.05Fa03  0.332
2017 Zhang DB, Allen PB, Sun T, Wentzcovitch RM. Thermal conductivity from phonon quasiparticles with subminimal mean free path in the MgSiO3 perovskite Physical Review B. 96: 100302. DOI: 10.1103/Physrevb.96.100302  0.642
2017 Yun H, Topsakal M, Prakash A, Ganguly K, Leighton C, Jalan B, Wentzcovitch RM, Mkhoyan KA, Seok Jeong J. Probing the Electronic Structure of BaSnO3 by EELS Analysis and ab initio Calculations Microscopy and Microanalysis. 23: 1602-1603. DOI: 10.1017/S1431927617008674  0.352
2017 Umemoto K, Wentzcovitch RM, Wu S, Ji M, Wang C, Ho K. Phase transitions in MgSiO3 post-perovskite in super-Earth mantles Earth and Planetary Science Letters. 478: 40-45. DOI: 10.1016/J.Epsl.2017.08.032  0.467
2017 Wu Z, Wentzcovitch RM. Composition versus temperature induced velocity heterogeneities in a pyrolitic lower mantle Earth and Planetary Science Letters. 457: 359-365. DOI: 10.1016/J.Epsl.2016.10.009  0.302
2016 Jeong JS, Topsakal M, Xu P, Jalan B, Wentzcovitch RM, Mkhoyan KA. A New Line Defect in NdTiO3 Perovskite. Nano Letters. PMID 27736081 DOI: 10.1021/Acs.Nanolett.6B02532  0.309
2016 Topsakal M, Leighton C, Wentzcovitch RM. First-principles study of crystal and electronic structure of rare-earth cobaltites Journal of Applied Physics. 119: 244310. DOI: 10.1063/1.4954792  0.39
2016 Umemoto K, Kawamura K, Hirose K, Wentzcovitch RM. Post-stishovite transition in hydrous aluminous SiO2 Physics of the Earth and Planetary Interiors. 255: 18-26. DOI: 10.1016/J.Pepi.2016.03.008  0.347
2015 Umemoto K, Himmetoglu B, Wang JP, Wentzcovitch RM, Cococcioni M. Searching for high magnetization density in bulk Fe: the new metastable Fe₆ phase. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 27: 016001. PMID 25425567 DOI: 10.1088/0953-8984/27/1/016001  0.355
2015 Marcondes ML, Shukla G, Silveira PRd, Wentzcovitch RM. Accurate thermoelastic tensor and acoustic velocities of NaCl Aip Advances. 5: 127222. DOI: 10.1063/1.4938550  0.364
2014 Zhang DB, Sun T, Wentzcovitch RM. Phonon quasiparticles and anharmonic free energy in complex systems. Physical Review Letters. 112: 058501. PMID 24580631 DOI: 10.1103/Physrevlett.112.058501  0.444
2014 Wu SQ, Ji M, Wang CZ, Nguyen MC, Zhao X, Umemoto K, Wentzcovitch RM, Ho KM. An adaptive genetic algorithm for crystal structure prediction. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 26: 035402. PMID 24351274 DOI: 10.1088/0953-8984/26/3/035402  0.487
2014 Moon J, Yoon S, Wentzcovitch RM, Monteiro PJM. First-principles elasticity of monocarboaluminate hydrates American Mineralogist. 99: 1360-1368. DOI: 10.2138/Am.2014.4597  0.318
2014 Hsu H, Wentzcovitch RM. First-principles study of intermediate-spin ferrous iron in the Earth's lower mantle Physical Review B. 90: 195205. DOI: 10.1103/Physrevb.90.195205  0.323
2014 Sun T, Zhang DB, Wentzcovitch RM. Dynamic stabilization of cubic Ca Si O 3 perovskite at high temperatures and pressures from ab initio molecular dynamics Physical Review B. 89: 94109. DOI: 10.1103/Physrevb.89.094109  0.379
2013 Wu Z, Justo JF, Wentzcovitch RM. Elastic anomalies in a spin-crossover system: ferropericlase at lower mantle conditions. Physical Review Letters. 110: 228501. PMID 23767753 DOI: 10.1103/Physrevlett.110.228501  0.373
2013 Wentzcovitch RM, Umemoto K, Tsuchiya T, Tsuchiya J. Thermodynamic Properties and Stability Field of MgSiO3 Post-Perovskite Geophysical Monograph. 174: 79-97. DOI: 10.1029/174Gm08  0.403
2013 Tosi N, Yuen DA, Koker Nd, Wentzcovitch RM. Mantle dynamics with pressure- and temperature-dependent thermal expansivity and conductivity Physics of the Earth and Planetary Interiors. 217: 48-58. DOI: 10.1016/J.Pepi.2013.02.004  0.388
2013 Yu YG, Vinograd VL, Winkler B, Wentzcovitch RM. Phase equilibria of (Mg,Fe)2SiO4 at the Earth's upper mantle conditions from first-principles studies Physics of the Earth and Planetary Interiors. 217: 36-47. DOI: 10.1016/J.Pepi.2013.01.004  0.351
2013 Núñez-Valdez M, Wu Z, Yu YG, Wentzcovitch RM. Thermal elasticity of (Fex,Mg1−x)2SiO4 olivine and wadsleyite Geophysical Research Letters. 40: 290-294. DOI: 10.1002/Grl.50131  0.37
2012 Wentzcovitch RM, Hsu H, Umemoto K. First-principles studies of spin-state crossovers of iron in perovskite European Journal of Mineralogy. 24: 851-862. DOI: 10.1127/0935-1221/2012/0024-2249  0.339
2012 Moon J, Yoon S, Wentzcovitch RM, Clark SM, Monteiro PJ. Elastic Properties of Tricalcium Aluminate from High-Pressure Experiments and First-Principles Calculations Journal of the American Ceramic Society. 95: 2972-2978. DOI: 10.1111/J.1551-2916.2012.05301.X  0.405
2012 Valdez MN, Umemoto K, Wentzcovitch RM. Elasticity of diamond at high pressures and temperatures Applied Physics Letters. 101: 171902. DOI: 10.1063/1.4754548  0.413
2012 Hsu H, Yu YG, Wentzcovitch RM. Spin crossover of iron in aluminous MgSiO3 perovskite and post-perovskite Earth and Planetary Science Letters. 359: 34-39. DOI: 10.1016/J.Epsl.2012.09.029  0.335
2012 Yu YG, Hsu H, Cococcioni M, Wentzcovitch RM. Spin states and hyperfine interactions of iron incorporated in MgSiO 3 post-perovskite Earth and Planetary Science Letters. 331: 1-7. DOI: 10.1016/J.Epsl.2012.03.002  0.318
2011 Hsu H, Blaha P, Cococcioni M, Wentzcovitch RM. Spin-state crossover and hyperfine interactions of ferric iron in MgSiO(3) perovskite. Physical Review Letters. 106: 118501. PMID 21469904 DOI: 10.1103/Physrevlett.106.118501  0.334
2011 Ji M, Umemoto K, Wang CZ, Ho KM, Wentzcovitch RM. Ultrahigh-pressure phases of H2O ice predicted using an adaptive genetic algorithm Physical Review B. 84: 220105. DOI: 10.1103/Physrevb.84.220105  0.523
2011 Himmetoglu B, Wentzcovitch RM, Cococcioni M. Publisher's Note: First-principles study of electronic and structural properties of CuO [Phys. Rev. B84, 115108 (2011)] Physical Review B. 84: 159905. DOI: 10.1103/Physrevb.84.159905  0.323
2011 Wu Z, Wentzcovitch RM. Quasiharmonic thermal elasticity of crystals: An analytical approach Physical Review B. 83: 184115. DOI: 10.1103/Physrevb.83.184115  0.402
2011 Wu S, Umemoto K, Ji M, Wang CZ, Ho KM, Wentzcovitch RM. Identification of post-pyrite phase transitions in SiO2 by a genetic algorithm Physical Review B. 83: 184102. DOI: 10.1103/Physrevb.83.184102  0.442
2011 Núñez-Valdez M, Silveira Pd, Wentzcovitch RM. Influence of iron on the elastic properties of wadsleyite and ringwoodite Journal of Geophysical Research. 116. DOI: 10.1029/2011Jb008378  0.324
2011 Shahnas MH, Peltier WR, Wu Z, Wentzcovitch R. The high-pressure electronic spin transition in iron: Potential impacts upon mantle mixing Journal of Geophysical Research. 116. DOI: 10.1029/2010Jb007965  0.397
2011 Yu YG, Wentzcovitch RM, Vinograd VL, Angel RJ. Thermodynamic properties of MgSiO3 majorite and phase transitions near 660 km depth in MgSiO3 and Mg2SiO 4: A first principles study Journal of Geophysical Research: Solid Earth. 116. DOI: 10.1029/2010Jb007912  0.412
2011 Matyska C, Yuen DA, Wentzcovitch RM, Čížková H. The impact of variability in the rheological activation parameters on lower-mantle viscosity stratification and its dynamics Physics of the Earth and Planetary Interiors. 188: 1-8. DOI: 10.1016/J.Pepi.2011.05.012  0.362
2011 Hsu H, Umemoto K, Cococcioni M, Wentzcovitch RM. The Hubbard U correction for iron-bearing minerals: A discussion based on (Mg,Fe)SiO3 perovskite Physics of the Earth and Planetary Interiors. 185: 13-19. DOI: 10.1016/J.Pepi.2010.12.001  0.349
2010 Umemoto K, Wentzcovitch RM, Saito S, Miyake T. Body-centered tetragonal C4: a viable sp3 carbon allotrope. Physical Review Letters. 104: 125504. PMID 20366546 DOI: 10.1103/Physrevlett.104.125504  0.31
2010 Wentzcovitch RM, Wu Z, Carrier P. First principles quasiharmonic thermoelasticity of mantle minerals Reviews in Mineralogy and Geochemistry. 71: 99-128. DOI: 10.2138/Rmg.2010.71.5  0.412
2010 Wentzcovitch RM, Yu YG, Wu Z. Thermodynamic properties and phase relations in mantle minerals investigated by first principles quasiharmonic theory Reviews in Mineralogy & Geochemistry. 71: 59-98. DOI: 10.2138/Rmg.2010.71.4  0.402
2010 Umemoto K, Wentzcovitch RM. Multi-Mbar Phase Transitions in Minerals Reviews in Mineralogy & Geochemistry. 71: 299-314. DOI: 10.2138/Rmg.2010.71.14  0.366
2010 Hsu H, Umemoto K, Wu Z, Wentzcovitch RM. Spin-State Crossover of Iron in Lower-Mantle Minerals: Results of DFT+U Investigations Reviews in Mineralogy & Geochemistry. 71: 169-199. DOI: 10.2138/Rmg.2010.71.09  0.352
2010 Yu YG, Wentzcovitch RM, Angel RJ. First principles study of thermodynamics and phase transition in low-pressure (P21/c) and high-pressure (C2/c) clinoenstatite MgSiO3 Journal of Geophysical Research: Solid Earth. 115. DOI: 10.1029/2009Jb006329  0.346
2010 Umemoto K, Hsu H, Wentzcovitch RM. Effect of site degeneracies on the spin crossovers in (Mg, Fe)SiO3 perovskite Physics of the Earth and Planetary Interiors. 180: 209-214. DOI: 10.1016/J.Pepi.2009.10.014  0.331
2010 Hsu H, Umemoto K, Blaha P, Wentzcovitch RM. Spin states and hyperfine interactions of iron in (Mg,Fe)SiO3 perovskite under pressure Earth and Planetary Science Letters. 294: 19-26. DOI: 10.1016/J.Epsl.2010.02.031  0.344
2010 Umemoto K, Wentzcovitch RM, De Gironcoli S, Baroni S. Order-disorder phase boundary between ice VII and VIII obtained by first principles Chemical Physics Letters. 499: 236-240. DOI: 10.1016/J.Cplett.2010.09.065  0.333
2009 Yu YG, Wentzcovitch RM. Low-pressure clino- to high-pressure clinoenstatite phase transition: A phonon-related mechanism American Mineralogist. 94: 461-466. DOI: 10.2138/Am.2009.3071  0.371
2009 Wu Z, Justo JF, Da Silva CRS, De Gironcoli S, Wentzcovitch RM. Anomalous thermodynamic properties in ferropericlase throughout its spin crossover transition Physical Review B - Condensed Matter and Materials Physics. 80. DOI: 10.1103/Physrevb.80.014409  0.342
2009 Hsu H, Umemoto K, Cococcioni M, Wentzcovitch R. First-principles study for low-spin LaCoO3 with a structurally consistent Hubbard U Physical Review B - Condensed Matter and Materials Physics. 79. DOI: 10.1103/Physrevb.79.125124  0.386
2009 Wu Z, Wentzcovitch RM. Effective semiempirical ansatz for computing anharmonic free energies Physical Review B. 79: 104304. DOI: 10.1103/Physrevb.79.104304  0.373
2008 Umemoto K, Wentzcovitch RM. Prediction of an U2S3-type polymorph of Al2O3 at 3.7 Mbar. Proceedings of the National Academy of Sciences of the United States of America. 105: 6526-30. PMID 18451030 DOI: 10.1073/Pnas.0711925105  0.372
2008 Tsuchiya J, Tsuchiya T, Wentzcovitch RM. Vibrational properties of δ-AlOOH under pressure American Mineralogist. 93: 477-482. DOI: 10.2138/Am.2008.2627  0.307
2008 Carrier P, Justo JF, Wentzcovitch RM. Quasiharmonic elastic constants corrected for deviatoric thermal stresses Physical Review B - Condensed Matter and Materials Physics. 78. DOI: 10.1103/Physrevb.78.144302  0.316
2008 Wu Z, Wentzcovitch RM, Umemoto K, Li B, Hirose K, Zheng J. Pressure-volume-temperature relations in MgO: An ultrahigh pressure-temperature scale for planetary sciences applications Journal of Geophysical Research. 113. DOI: 10.1029/2007Jb005275  0.408
2008 Umemoto K, Wentzcovitch RM, Yu YG, Requist R. Spin transition in (Mg,Fe)SiO3 perovskite under pressure Earth and Planetary Science Letters. 276: 198-206. DOI: 10.1016/J.Epsl.2008.09.025  0.724
2008 Yu YG, Wu Z, Wentzcovitch RM. α-β-γ transformations in Mg2SiO4 in Earth's transition zone Earth and Planetary Science Letters. 273: 115-122. DOI: 10.1016/J.Epsl.2008.06.023  0.333
2007 Leighton C, Manno M, Cady A, Freeland JW, Wang L, Umemoto K, Wentzcovitch RM, Chen TY, Chien CL, Kuhns PL, Hoch MJ, Reyes AP, Moulton WG, Dahlberg ED, Checkelsky J, et al. Composition controlled spin polarization in Co(1-x)Fe(x)S(2) alloys. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 19: 315219. PMID 21694119 DOI: 10.1088/0953-8984/19/31/315219  0.348
2007 Carrier P, Wentzcovitch R, Tsuchiya J. Erratum: First-principles prediction of crystal structures at high temperatures using the quasiharmonic approximation [Phys. Rev. B 76, 064116 (2007)] Physical Review B. 76: 189901. DOI: 10.1103/Physrevb.76.189901  0.307
2007 Carrier P, Wentzcovitch R, Tsuchiya J. First-principles prediction of crystal structures at high temperatures using the quasiharmonic approximation Physical Review B - Condensed Matter and Materials Physics. 76. DOI: 10.1103/Physrevb.76.064116  0.382
2007 Wu Z, Wentzcovitch RM. Vibrational and thermodynamic properties of wadsleyite: A density functional study Journal of Geophysical Research. 112. DOI: 10.1029/2007Jb005036  0.384
2007 Yu YG, Wentzcovitch RM, Tsuchiya T, Umemoto K, Weidner DJ. First principles investigation of the postspinel transition in Mg2SiO4 Geophysical Research Letters. 34. DOI: 10.1029/2007Gl029462  0.41
2007 Lin JF, Jacobsen SD, Wentzcovitch RM. Electronic spin transition of iron in the Earth's deep mantle Eos, Transactions American Geophysical Union. 88: 13-17. DOI: 10.1029/2007Eo020001  0.347
2007 Li L, Wentzcovitch RM, Weidner DJ, Da Silva CRS. Vibrational and thermodynamic properties of forsterite at mantle conditions Journal of Geophysical Research: Solid Earth. 112. DOI: 10.1029/2006Jb004546  0.385
2006 Caracas R, Wentzcovitch RM. Theoretical determination of the structures of CaSiO3 perovskites. Acta Crystallographica. Section B, Structural Science. 62: 1025-30. PMID 17108656 DOI: 10.1107/S0108768106035762  0.395
2006 Tsuchiya T, Wentzcovitch RM, da Silva CR, de Gironcoli S. Spin transition in magnesiowüstite in earth's lower mantle. Physical Review Letters. 96: 198501. PMID 16803146 DOI: 10.1103/Physrevlett.96.198501  0.357
2006 Umemoto K, Wentzcovitch RM, Allen PB. Dissociation of MgSiO3 in the cores of gas giants and terrestrial exoplanets. Science (New York, N.Y.). 311: 983-6. PMID 16484489 DOI: 10.1126/Science.1120865  0.679
2006 Wentzcovitch RM, Tsuchiya T, Tsuchiya J. MgSiO3 postperovskite at D'' conditions. Proceedings of the National Academy of Sciences of the United States of America. 103: 543-6. PMID 16407135 DOI: 10.1073/Pnas.0506879103  0.332
2006 Umemoto K, Wentzcovitch RM. Potential ultrahigh pressure polymorphs of ABX3-type compounds Physical Review B. 74: 224105. DOI: 10.1103/Physrevb.74.224105  0.353
2006 Wang L, Chen TY, Chien CL, Checkelsky JG, Eckert JC, Dahlberg ED, Umemoto K, Wentzcovitch RM, Leighton C. Composition controlled spin polarization in Co1-x Fex S2: Electronic, magnetic, and thermodynamic properties Physical Review B - Condensed Matter and Materials Physics. 73. DOI: 10.1103/Physrevb.73.144402  0.319
2006 Yu YG, Wentzcovitch RM. Density functional study of vibrational and thermodynamic properties of ringwoodite Journal of Geophysical Research. 111. DOI: 10.1029/2006Jb004282  0.396
2006 Umemoto K, Wentzcovitch RM, Weidner DJ, Parise JB. NaMgF3: A low-pressure analog of MgSiO3 Geophysical Research Letters. 33. DOI: 10.1029/2006Gl026348  0.398
2006 Li L, Weidner DJ, Brodholt J, Alfè D, Price GD, Caracas R, Wentzcovitch R. Phase stability of CaSiO3 perovskite at high pressure and temperature: Insights from ab initio molecular dynamics Physics of the Earth and Planetary Interiors. 155: 260-268. DOI: 10.1016/J.Pepi.2005.12.007  0.417
2006 Li L, Weidner DJ, Brodholt J, Alfè D, David Price G, Caracas R, Wentzcovitch R. Elasticity of CaSiO3 perovskite at high pressure and high temperature Physics of the Earth and Planetary Interiors. 155: 249-259. DOI: 10.1016/J.Pepi.2005.12.006  0.359
2006 Umemoto K, Wentzcovitch RM, Wang L, Leighton C. Electronic structure of Co1–xFexS2 Physica Status Solidi B-Basic Solid State Physics. 243: 2117-2121. DOI: 10.1002/Pssb.200666821  0.308
2006 Tsuchiya T, Wentzcovitch RM, Da Silva CRS, De Gironcoli S, Tsuchiya J. Pressure induced high spin to low spin transition in magnesiowüstite Physica Status Solidi (B) Basic Research. 243: 2111-2116. DOI: 10.1002/Pssb.200666814  0.34
2005 Tsuchiya J, Tsuchiya T, Wentzcovitch RM. Transition from the Rh2O3"II…-to-CaIrO3 structure and the high-pressure-temperature phase diagram of alumina Physical Review B. 72: 20103. DOI: 10.1103/Physrevb.72.020103  0.418
2005 Umemoto K, Wentzcovitch RM. Theoretical study of the isostructural transformation in ice VIII Physical Review B. 71: 12102. DOI: 10.1103/Physrevb.71.012102  0.353
2005 Tsuchiya J, Tsuchiya T, Wentzcovitch RM. Vibrational and thermodynamic properties of MgSiO3 postperovskite Journal of Geophysical Research. 110: 1-6. DOI: 10.1029/2004Jb003409  0.42
2005 Caracas R, Wentzcovitch R, Price GD, Brodholt J. CaSiO3 perovskite at lower mantle pressures Geophysical Research Letters. 32: 1-5. DOI: 10.1029/2004Gl022144  0.425
2005 Umemoto K, Wentzcovitch RM. Low ↔ high density transformations in ice Chemical Physics Letters. 405: 53-57. DOI: 10.1016/J.Cplett.2005.01.098  0.327
2004 Umemoto K, Wentzcovitch RM, Baroni S, de Gironcoli S. Anomalous pressure-induced transition(s) in ice XI. Physical Review Letters. 92: 105502. PMID 15089212 DOI: 10.1103/Physrevlett.92.105502  0.382
2004 Wentzcovitch RM, Karki BB, Cococcioni M, de Gironcoli S. Thermoelastic properties of MgSiO(3)-perovskite: insights on the nature of the Earth's lower mantle. Physical Review Letters. 92: 018501. PMID 14754029 DOI: 10.1103/Physrevlett.92.018501  0.375
2004 Umemoto K, Wentzcovitch RM. Amorphization in quenched ice VIII: A first-principles study Physical Review B. 69: 180103. DOI: 10.1103/Physrevb.69.180103  0.381
2004 Caracas R, Wentzcovitch RM. Equation of state and elasticity of FeSi Geophysical Research Letters. 31. DOI: 10.1029/2004Gl020601  0.41
2004 Tsuchiya T, Tsuchiya J, Umemoto K, Wentzcovitch RM. Elasticity of post‐perovskite MgSiO3 Geophysical Research Letters. 31. DOI: 10.1029/2004Gl020278  0.343
2004 Wentzcovitch RM, Stixrude L, Karki BB, Kiefer B. Akimotoite to perovskite phase transition in MgSiO3 Geophysical Research Letters. 31. DOI: 10.1029/2004Gl019704  0.408
2004 Tsuchiya T, Tsuchiya J, Umemoto K, Wentzcovitch RM. Phase transition in MgSiO 3 perovskite in the earth's lower mantle Earth and Planetary Science Letters. 224: 241-248. DOI: 10.1016/J.Epsl.2004.05.017  0.332
2003 Karki BB, Wentzcovitch RM. Vibrational and quasiharmonic thermal properties of CaO under pressure Physical Review B. 68: 224304. DOI: 10.1103/Physrevb.68.224304  0.444
2002 Karki BB, Wentzcovitch RM. First‐principles lattice dynamics and thermoelasticity of MgSiO3 ilmenite at high pressure Journal of Geophysical Research. 107: 2267. DOI: 10.1029/2001Jb000702  0.401
2001 Duan W, Karki BB, Wentzcovitch RM, Gu BL. Ab initio study of MgSiO3 low-clinoenstatite at high pressure American Mineralogist. 86: 762-766. DOI: 10.2138/Am-2001-5-617  0.413
2001 Dobin AY, Wentzcovitch RM. First principles description of the paramagnetic insulating state of chromia Journal of Applied Physics. 89: 7201-7202. DOI: 10.1063/1.1359457  0.364
2001 Karki BB, Wentzcovitch RM, De Gironcoli S, Baroni S. First principles thermoelasticity of MgSiO3-perovskite: Consequences for the inferred properties of the lower mantle Geophysical Research Letters. 28: 2699-2702. DOI: 10.1029/2001Gl012910  0.405
2001 Karki BB, Stixrude L, Wentzcovitch RM. High-pressure elastic properties of major materials of earth's mantle from first principles Reviews of Geophysics. 39: 507-534. DOI: 10.1029/2000Rg000088  0.411
2000 Karki BB, Duan W, Silva CRSd, Wentzcovitch RM. Ab initio structure of MgSiO3 ilmenite at high pressure American Mineralogist. 85: 317-320. DOI: 10.2138/Am-2000-2-309  0.45
2000 Karki BB, Wentzcovitch RM, De Gironcoli S, Baroni S. Ab initio lattice dynamics of MgSiO3 perovskite at high pressure Physical Review B - Condensed Matter and Materials Physics. 62: 14750-14756. DOI: 10.1103/Physrevb.62.14750  0.373
2000 Dobin AY, Duan W, Wentzcovitch RM. Magnetostructural effects and phase transition in Cr2O3 under pressure Physical Review B. 62: 11997-12000. DOI: 10.1103/Physrevb.62.11997  0.416
2000 Karki BB, Wentzcovitch RM, de Gironcoli S, Baroni S. High-pressure lattice dynamics and thermoelasticity of MgO Physical Review B. 61: 8793-8800. DOI: 10.1103/Physrevb.61.8793  0.421
2000 Dean DW, Wentzcovitch RM, Keskar N, Chelikowsky JR, Binggeli N. Pressure-induced amorphization in crystalline silica: Soft phonon modes and shear instabilities in coesite Physical Review B. 61: 3303-3309. DOI: 10.1103/Physrevb.61.3303  0.393
1999 Karki BB, Wentzcovitch RM, de Gironcoli S, Baroni S. First-principles determination of elastic anisotropy and wave velocities of MgO at lower mantle conditions Science (New York, N.Y.). 286: 1705-7. PMID 10576730 DOI: 10.1126/Science.286.5445.1705  0.379
1999 Duan W, Karki BB, Wentzcovitch RM. High-pressure elasticity of alumina studied by first principles American Mineralogist. 84: 1961-1966. DOI: 10.2138/Am-1999-11-1225  0.385
1999 Kiefer B, Stixrude L, Wentzcovitch R. Normal and inverse ringwoodite at high pressures American Mineralogist. 84: 288-293. DOI: 10.2138/Am-1999-0311  0.326
1999 Duan W, Wentzcovitch RM, Chelikowsky JR. First-principles search for high-pressure phases ofGaAsO4 Physical Review B. 60: 3751-3756. DOI: 10.1103/Physrevb.60.3751  0.352
1999 Da Silva CRS, Karki BB, Stixrude L, Wentzcovitch RM. Ab initio study of the elastic behavior of MgSiO3 ilmenite at high pressure Geophysical Research Letters. 26: 943-946. DOI: 10.1029/1999Gl900149  0.393
1998 Duan W, Paiva G, Wentzcovitch RM, Fazzio A. Optical transitions in ruby across the Corundum to Rh2O3(II) phase transformation Physical Review Letters. 81: 3267-3270. DOI: 10.1103/Physrevlett.81.3267  0.345
1998 Wentzcovitch RM, da Silva C, Chelikowsky JR, Binggeli N. A New Phase and Pressure Induced Amorphization in Silica Physical Review Letters. 80: 2149-2152. DOI: 10.1103/Physrevlett.80.2149  0.392
1998 Duan W, Wentzcovitch RM, Thomson KT. First-principles study of high-pressure alumina polymorphs Physical Review B - Condensed Matter and Materials Physics. 57: 10363-10369. DOI: 10.1103/Physrevb.57.10363  0.689
1998 Thomson KT, Wentzcovitch RM. A density functional study of the electronic structure of sodalite Journal of Chemical Physics. 108: 8584-8588. DOI: 10.1063/1.476287  0.677
1998 Wentzcovitch RM, Karki BB, Karato S, Da Silva CRS. High pressure elastic anisotropy of MgSiO3 perovskite and geophysical implications Earth and Planetary Science Letters. 164: 371-378. DOI: 10.1016/S0012-821X(98)00230-1  0.394
1998 Thomson KT, Wentzcovitch RM, McCormick A, Davis HT. A density functional study of sodalite: A new view on an old system Chemical Physics Letters. 283: 39-43. DOI: 10.1016/S0009-2614(97)01342-0  0.705
1997 Wentzcovitch RM, Stixrude L. Crystal chemistry of forsterite; a first-principles study American Mineralogist. 82: 663-671. DOI: 10.2138/Am-1997-7-802  0.426
1997 Duan W, Paiva G, Wentzcovitch RM, Fazzio A. Ruby's Optical Transitions: Effects of Pressure-Induced Phase Transformation Mrs Proceedings. 499: 275-282. DOI: 10.1557/Proc-499-275  0.397
1997 Kiefer B, Stixrude L, Wentzcovitch RM. Calculated elastic constants and anisotropy of Mg2SiO4 spinel at high pressure Geophysical Research Letters. 24: 2841-2844. DOI: 10.1029/97Gl02975  0.358
1997 Silva Cd, Stixrude L, Wentzcovitch RM. Elastic constants and anisotropy of forsterite at high pressure Geophysical Research Letters. 24: 1963-1966. DOI: 10.1029/97Gl01756  0.367
1997 Silva CRSd, Wentzcovitch RM. First principles investigation of the A7 to simple cubic transformation in As Computational Materials Science. 8: 219-227. DOI: 10.1016/S0927-0256(97)00005-0  0.332
1996 Thomson KT, Wentzcovitch RM, Bukowinski MST. Polymorphs of Alumina Predicted by First Principles: Putting Pressure on the Ruby Pressure Scale Science (New York, N.Y.). 274: 1880-2. PMID 8943195 DOI: 10.1126/Science.274.5294.1880  0.67
1996 Wentzcovitch RM, Price GD. High pressure studies of Mantle minerals by ab initio variable cell shape molecular dynamics Molecular Engineering. 6: 39-61. DOI: 10.1007/Bf00161722  0.401
1995 Wentzcovitch RM, Ross NL, Price GD. Ab initio study of MgSiO3 and CaSiO3 perovskites at lower-mantle pressures Physics of the Earth and Planetary Interiors. 90: 101-112. DOI: 10.1016/0031-9201(94)03001-Y  0.413
1994 Binggeli N, Chelikowsky JR, Wentzcovitch RM. Simulating the amorphization of alpha -quartz under pressure. Physical Review B. 49: 9336-9340. PMID 10009730 DOI: 10.1103/Physrevb.49.9336  0.377
1994 Wentzcovitch RM. hcp-to-bcc pressure-induced transition in Mg simulated by ab initio molecular dynamics. Physical Review B. 50: 10358-10361. PMID 9975127 DOI: 10.1103/Physrevb.50.10358  0.333
1993 Schulz WW, Wentzcovitch RM. Electronic band structure and bonding in Nb3O3. Physical Review B. 48: 16986-16991. PMID 10008298 DOI: 10.1103/Physrevb.48.16986  0.392
1992 Schulz WW, Forro L, Kendziora C, Wentzcovitch R, Mandrus D, Mihaly L, Allen PB. Band structure and electronic transport properties of the superconductor NbO Physical Review B. 46: 14001-14004. DOI: 10.1103/Physrevb.46.14001  0.682
1992 Hannon JB, Plummer EW, Wentzcovitch RM, Lam PK. The (1 × 3) missing-row surface structure of Be(1120) Surface Science. 269: 7-13. DOI: 10.1016/0039-6028(92)91220-6  0.311
1991 Wentzcovitch RM. Invariant molecular-dynamics approach to structural phase transitions Physical Review B. 44: 2358-2361. PMID 9999791 DOI: 10.1103/Physrevb.44.2358  0.304
1991 Fischer DA, Wentzcovitch RM, Carr RG, Continenza A, Freeman AJ. Graphitic interlayer states: A carbon K near-edge x-ray-absorption fine-structure study. Physical Review. B, Condensed Matter. 44: 1427-1429. PMID 9999671 DOI: 10.1103/Physrevb.44.1427  0.336
1991 Wentzcovitch RM, Lam PK. fcc-to-hcp transformation: A first-principles investigation Physical Review B. 44: 9155-9158. DOI: 10.1103/Physrevb.44.9155  0.321
1990 Lam PK, Wentzcovitch RM, Cohen ML. High Density Phases of BN Materials Science Forum. 165-192. DOI: 10.4028/Www.Scientific.Net/Msf.54-55.165  0.493
1990 Wentzcovitch RM, Krakauer H. Martensitic transformation of Ca Physical Review B. 42: 4563-4567. DOI: 10.1103/Physrevb.42.4563  0.328
1989 Liu AY, Wentzcovitch RM, Cohen ML. Atomic arrangement and electronic structure of BC2N. Physical Review B. 39: 1760-1765. PMID 9948392 DOI: 10.1103/Physrevb.39.1760  0.599
1989 Knittle E, Wentzcovitch RM, Jeanloz R, Cohen ML. Experimental and theoretical equation of state of cubic boron nitride Nature. 337: 349-352. DOI: 10.1038/337349A0  0.591
1988 Wentzcovitch RM, Fahy S, Cohen ML, Louie SG. Ab initio study of graphite. -->. diamondlike transitions in BN Physical Review B. 38: 6191-6195. PMID 9947080 DOI: 10.1103/Physrevb.38.6191  0.661
1988 Liu AY, Wentzcovitch RM, Cohen ML. Structural and electronic properties of WC. Physical Review B. 38: 9483-9489. PMID 9945763 DOI: 10.1103/Physrevb.38.9483  0.606
1988 Tomanek D, Wentzcovitch RM, Louie SG, Cohen ML. Calculation of electronic and structural properties of BC3. Physical Review B. 37: 3134-3136. PMID 9944901 DOI: 10.1103/Physrevb.37.3134  0.64
1988 Wentzcovitch RM, Cohen ML. Theoretical model for the hcp-bcc transition in Mg Physical Review B. 37: 5571-5576. DOI: 10.1103/Physrevb.37.5571  0.605
1988 Wentzcovitch RM, Cohen ML, Louie SG. Comparative study of the density of states of graphite and BC3 Physics Letters A. 131: 457-460. DOI: 10.1016/0375-9601(88)90301-5  0.613
1988 Wentzcovitch RM, Cardona M, Cohen ML, Christensen NE. X1 and X3 states of electrons and phonons in zincblende type semiconductors Solid State Communications. 67: 927-930. DOI: 10.1016/0038-1098(88)90458-9  0.516
1988 Wentzcovitch RM, Cohen ML, Louie SG, Tománek D. σ-states contribution to the conductivity of BC3 Solid State Communications. 67: 515-518. DOI: 10.1016/0038-1098(84)90173-X  0.571
1987 Wentzcovitch RM, Cohen ML, Lam PK. Theoretical study of BN, BP, and BAs at high pressures Physical Review B. 36: 6058-6068. DOI: 10.1103/Physrevb.36.6058  0.573
1986 Wentzcovitch RM, Cohen ML. Theory of structural and electronic properties of bas Journal of Physics C: Solid State Physics. 19: 6791-6797. DOI: 10.1088/0022-3719/19/34/016  0.592
1986 Wentzcovitch RM, Richardson SL, Cohen ML. Electronic charge densities at valence and conduction band edges of ZnSe and CdTe Physics Letters A. 114: 203-206. DOI: 10.1016/0375-9601(86)90207-0  0.506
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