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R. M. Wentzcovitch, K. Hirose, P. Tackley, and J. Tromp, Emergent Views of Earth’s Interior, AGU Geophysical Monograph Series, in preparation
(2023)
R. M. Wentzcovitch, and L. Stixrude, Theoretical and Computational Methods in Mineral Physics: Geophysical Applications, Reviews in Mineralogy and Geochemistry, Mineralogical Society of America
(2010)
online
R. M. Wentzcovitch, A. Navrotsky, and K. Poeppelmeyer, Perovskite Materials, Proceedings of Symposium D of the Materials Research Society, Spring 02 Meeting
(2002)
R. M. Wentzcovitch, R. Hemley, W. Nellis, and P. Y. Yu, High Pressure Materials Research, Proceedings of Symposium DD of the Materials Research Society Fall 97 Meeting
(1998)
L. Cobden, J. Zhuang, W. Lei, R. M. Wentzcovitch, J. Trampert, and J. Tromp, Full-waveform tomography reveals iron spin crossover in Earth’s lower mantle, Science Advances, Under Review
(2023)
online
H. Wang, J. Zhuang, Z. Zhang, Q. Zhang, and R. M. Wentzcovitch, pgm: a Python package for free-energy calculations within the phonon gas model, Comp. Phys. Comm., Submitted
(2023)
online
Y. Sun, M. I. Mendelev, F. Zhang, Z. Liu, X. Liu, B. Da, C.-Z Wang, R. M. Wentzcovitch, and K.-M. Ho, Unveiling the effect of Ni on the formation and structure of Earth’s inner core, Nature Geosciences, Under Review
(2023)
L. Tang, C. Zhang, Y. Sun, K.-M. Ho, R. M. Wentzcovitch, and C.-Z. Wang, Structure and dynamics of Fe90Si3O7 liquids close to Earth's liquid core conditions, Physical Review B, Submitted
(2023)
online
S.-C. Huang, K. Sarkar, R. M. Wentzcovitch, H. Hsu, Orbital-ordered ferromagnetic insulating state in tensile-strained SrCoO₃ thin films, Phys. Rev. Lett.,, Under Review
(2023)
online
Z. Zhang, Y. Sun, and R. M. Wentzcovitch, PBE-GGA predicts the B8 B2 phase boundary of FeO under Earth’s core pressures, PNAS
(2023)
online
press highlight
R. M. Wentzcovitch, J. Valencia Cardona, J. Zhuang, G. Shukla, K. Sarkar, The Post-Perovskite Transition in Fe- and Al-Bearing Bridgmanite: Effects on Seismic Observables, J. Geophys. Res.
(2023)
online
Y. Sun, M. I. Mendelev, F. Zhang, Z. Liu, B. Da, C.-Z Wang, R. M. Wentzcovitch, and K.-M. Ho, Ab initio melting temperatures of bcc and hcp iron under the Earth's inner core condition, Geophys. Res. Lett.
(2023)
online
press highlight
Q. Zhang, C. Gu, J. Zhuang, and R. M. Wentzcovitch, `express`: extensible, high-level workflows for swifter ab initio materials modeling, Comp. Phys. Comm.
(2023)
online
J. Liu, Y. Sun, C. Lv, F. Zhang, S. Fu, V. B. Prakapenka, C.-Z. Wang, K.-M. Ho, J.-F. Lin, R. M. Wentzcovitch, Iron-rich Fe-O compounds at Earth's core pressures, The Innovation
(2023)
online
press highlight
C. Luo, R. M. Wentzcovitch, and J. Tromp, 3rd order elastic coefficients and stress-dependent elasticity, Phys. Rev. B
(2022)
online
Z. Zhang and R. M. Wentzcovitch, Anharmonic thermodynamic properties and phase boundary across the post-perovskite transition in MgSiO3, Phys. Rev. B
(2022)
online
X. Deng, C. Luo, G. Abers, R. M. Wentzcovitch, and Z. Wu, Elastic anisotropy of lizardite at subduction zone conditions, Geophys. Res. Lett.
(2022)
online
F. Zheng, Y. Sun, R. Wang, Y. Fang, F. Zhang, S. Wu, C.-Z. Wang, R. M. Wentzcovitch, K.-M. Ho, Structure and motifs of iron oxides from 1 to 3 TPa, Phys. Rev. Materials
(2022)
online
C. Zhang, L. Tang, Y. Sun, K.-M. Ho, R. M. Wentzcovitch, and C.-Z. Wang, Deep machine learning potential for atomistic simulation of Fe-Si-O systems under Earth's outer core conditions, Phys. Rev. Materials
(2022)
online
T. Wan, Y. Sun, and R. M. Wentzcovitch, Intermediate spin state and the B1-B2 transition in ferropericlase at Tera-Pascal pressures, Phys. Rev. Research
(2022)
online
C. Luo, T. Wan, K. Umemoto, and R. M. Wentzcovitch, Ab initio investigation of H-bond disordering in δ-AlOOH, Phys. Rev. Research, In Press
(2022)
online
Z. Zhang, D.-B. Zhang, S. Tao, R. M. Wentzcovitch, The phonon quasiparticle method, Journal of Physics: Conference Series, 2207, 012042
(2022)
online
Y. Sun, J. Zhuang, and R. M. Wentzcovitch, LDA+Usc calculation of spin crossover in ferropericlase, Electronic Structure, 4, 014008
(2022)
online
Y. Sun, F. Zhang, M. Y. Mendelev, R. M. Wentzcovitch, K.-M. Ho, Two-step nucleation of the Earth's inner core, PNAS
(2022)
online
Z. Zhang, D.-B. Zhang, K. Onga, K. Ohta, K. Hirose, R. M. Wentzcovitch, Thermal conductivity of cubic CaSiO3–perovskite at lower mantle conditions, Phys. Rev. B
(2021)
online
Y. Fang, Y. Sun, R. Wang, F. Zheng, S. Wu, C.-Z. Wang, R. M. Wentzcovitch, K.-M. Ho, Unconventional iron-magnesium compounds at tera-Pascal pressures, Phys. Rev. B, Accepted
(2021)
online
G. Shephard, C. Houser, J. Hernlund, J. Valencia-Cardona, R. Tronne, and R. M. Wentzcovitch, Seismic detection of the iron spin transition in Earth's lower mantle, Nature Communications, Accepted
(2021)
online
press highlight 1 & press highlight 2
C. Luo, X. Deng, W. Wang, G. Shukla, Z. Wu, and R. M. Wentzcovitch, cij: a phyton code for quasiharmonic thermoelasticity, Comp. Phys. Comm., Accepted
(2021)
online
K. Umemoto and R. M. Wentzcovitch, _Ab initio_ prediction of an order-disorder transition in Mg2GeO4: implication for the nature of Super-Earth's mantles, Phys. Rev. Materials, Accepted
(2021)
online
R. Wang, Y. Sun, R. M. Wentzcovitch, Y. Fang, Z. Wu, Z. Lin, C.-Z. Wang, and K.-M. Ho, Prediction of crystal structures and motifs in the Fe-Mg-O system under earth’s core pressures, New J. Phys
(2021)
online
J. Zhuang, H. Wang, Q. Zhang, R. M. Wentzcovitch, Thermodynamic properties of ε-Fe with thermal electronic excitation effects on vibrational spectra, Phys. Rev. B
(2021)
online
Z. Zheng, R. M. Wentzcovitch, Thermodynamic propertie of cubic CaSiO3-perfovskite at extreme conditions, Phys. Rev. B
(2021)
online
Z. Zhang, and R. M. Wentzcovitch, Ab initio lattice thermal conductivity of MgSiO3 across the perovskite-postperovskite phase transition, Phys. Rev. B
(2021)
online
G. Shen, Y. Wang, A. Dewaele, K. Syassen, C. Wu, D. E. Fratanduono, J. Eggert, S. Klotz, K. F. Dziubek, P. Loubeyre, O. V. Fat’yanov, P. D. Asimow, T. Mashimo, R. Wentzcovitch, other members of the IPPS task group, Toward an international practical pressure scale: A proposal for an IPPS ruby gauge (IPPS-Ruby2020), High Pressure Research
(2020)
online
C. Houser, J. W. Hernlund, J. Valencia-Cardona, and R. M. Wentzcovitch, Discriminating lower mantle composition, Phys. Earth & Planet. Int.
(2020)
online
M. Marcondes, F. Zhang, and R. M. Wentzcovitch, Phonons in (Mg,Fe)O ferropericlase throughout the iron spin crossover, Phys. Rev. B
(2020)
online
Y. Sun, M. Cococcioni, and Wentzcovitch, Phase stability of FeO polytypes from self-consistent LDA+USC calculations, Phys. Rev. Materials
(2020)
online
W. Wang, Y. Xu, D. Sun, S. Ni, R. M. Wentzcovitch, and Z. Wu, Velocity and density characteristics of subducted oceanic crust and the origin of lower-mantle heterogeneities, Nature Communications
(2020)
online
K. Umemoto and R. M. Wentzcovitch, Ab initio exploration of post-PPV transitions in low-pressure analogs of MgSiO3, Physical Review Materials
(2019)
online
Z. Zhang, D.-B. Zhang, T. Sun, and R. M. Wentzcovitch, phq: A Fortran code to compute phonon quasiparticle properties and dispersions, Computer Physics Communications
(2019)
online
G. Shukla, K. Sarkar, and R. M. Wentzcovitch, Thermoelasticity of Iron‐ and Aluminum‐Bearing MgSiO3 Postperovskite, Journal of Geophysical Research: Solid Earth
(2019)
online
J. Tromp, M. L. Marcondes, R. M. Wentzcovitch, and J. Trampert, Effects of Induced Stress on Seismic Waves: Validation Based on Ab Initio Calculations, Journal of Geophysical Research: Solid Earth
(2019)
online
A. P. van den Berg, D. A. Yuen, K. Umemoto, M. Jacobs, and R. M. Wentzcovitch, Mass-dependent dynamics of terrestrial exoplanets using ab initio mineral properties, Icarus
(2019)
online
H. Yang, J.-F. Lin, M. Y. Hu, M. Roskosz, W. Bi, J Zhao, E. E. Alp, J. Liu, T. Okuchi, R. M. Wentzcovitch, and N. Dauphas, Iron isotopic fractionation in mineral phases from Earth's lower mantle: Did terrestrial magma ocean crystallization fractionate iron isotopes?, Earth and Planetary Science Letters
(2019)
online
Tian Qin, Qi Zhang, Renata M. Wentzcovitch, Koichiro Umemoto, qha: A Python package for quasiharmonic free energy calculation for multi-configuration systems, Computer Physics Communications
(2019)
online
F. Zou, Z. Wu, W. Wang, and R. M. Wentzcovitch, An Extended Semianalytical Approach for Thermoelasticity of Monoclinic Crystals: Application to Diopside, Journal of Geophysical Research: Solid Earth
(2018)
online
Kanchan Sarkar, N.A.W. Holzwarth, R.M.Wentzcovitch, EPAW-1.0 code for evolutionary optimization of PAW datasets especially for high-pressure application, Computer Physics Communications
(2018)
online
H. Yun, M. Topsakal, A. Prakash, K. Ganguly, C. Leighton, B. Jalan, R. M. Wentzcovitch, J. S. Jeong, and K. A. Mkhoyan, Electronic structure of BaSnO3 investigated by high-energy-resolution electron energy-loss spectroscopy and ab initio calculations, Journal of Vacuum Science & Technology A
(2018)
online
T. Qin, R. M. Wentzcovitch, K. Umemoto, M. Hirschmann, and D. Kohlstedt, Ab initio study of water speciation in forsterite: Importance of the entropic effect, American Mineralogist
(2018)
online
M. L. Marcondes, R. M. Wentzcovitch, L. V. C. Assali, Importance of van der Waals interaction on structural, vibrational, and thermodynamic properties of NaCl, Solid State Communications
(2018)
online
J. Valencia-Cardona, Q. Williams, G. Shukla, and R. Wentzcovitch, Bullen's Parameter as a Seismic Observable for Spin Crossovers in the Lower Mantle, Geophysical Research Letters
(2017)
online
Dong-Bo Zhang, Philip B. Allen, Tao Sun, and Renata M. Wentzcovitch, Thermal conductivity from phonon quasiparticles with subminimal mean free path in the MgSiO3 perovskite, PHYSICAL REVIEW B
(2017)
online
K. Umemoto, R. M Wentzcovitch, S. Q. Wu, M. Ji, C. Z. Wang, K.-M. Ho, Phase transitions in MgSiO3 post-perovskite in terrestrial exoplanetary mantles, Earth and Planetary Science Letters
(2017)
online
N. Ghaderi, D.-B. Zhang, H. Zhang, J. Xian, T. Sun, and R. M. Wentzcovitch, Lattice Thermal Conductivity of MgSiO3 Perovskite from First Principles, Scientific Reports
(2017)
online
K. Sarkar, M. Topsakal, N. Holzwarth, and R. M. Wentzcovitch, Evolutionary optimization of PAW data-sets for accurate high pressure simulations, Journal of Computational Physics
(2017)
online
J. Valencia-Cardona, G. Shukla, Z. Wu, D. Yuen, C. Hernlund, and R. Wentzcovitch, Influence of the iron spin crossover in ferropericlase on the lower mantle geotherm, Geophysical Research Letters
(2017)
online
K. Umemoto and R. Wentzcovich, First principles study of volume isotope effects in ices VIII and X, Japanese Journal of Applied Physics
(2017)
online
Y. Lu, T. Sun, Ping Zhang, P. Zhang, D.-B. Zhang, and R. M. Wentzcovitch, Premelting hcp to bcc Transition in Beryllium, PHYSICAL REVIEW LETTERS
(2017)
online
M. Ballmer, C. Houser, J. Hernlund, R. M. Wentzcovitch, and K. Hirose, Persistence of strong silica-enriched domains in the Earth’s lower mantle, Nature Geoscience
(2017)
online
Z. Wu and R. Wentzcovitch, Composition versus temperature induced velocity heterogeneities in a pyrolytic lower mantle, Earth and Planetary Science Letters
(2017)
online
G. Shukla and R. M. Wentzcovitch, Spin crossover in (Mg,Fe3+)(Si,Fe3+)O3 bridgmanite: Effects of disorder, iron concentration, and temperature, Physics of the Earth and Planetary Interiors
(2016)
online
J. S. Jeong, M. Topsakal, P. Xu, B. Jalan, R. M. Wentzcovitch, and A. Mkhoyan, A new line defect in strained NdTiO3 perovskite, Nano Letters
(2016)
online
M. Topsakal, C. Leighton, and R. Wentzcovitch, First-principles study of crystal and electronic structure of rare-earth cobaltites, Journal of Applied Physics
(2016)
online
K. Umemoto, T. Kawamura, K. Hirose, and R. M. Wentzcovitch, Post-stishovite transition in hydrous aluminous SiO2, Physics of the Earth and Planetary Interiors
(2016)
online
G. Shukla, M. Cococcioni, and R. Wentzcovitch, Thermoelasticity of Fe+‐ and Al‐bearing bridgmanite: Effects of iron spin crossover, Geophysical Research Letter
(2016)
online
M. M. Lacerda, G. Shukla, and R. M. Wentzcovitch, Accurate thermoelastic tensor and acoustic velocities of NaCl, AIP Advances
(2015)
online
K. Umemoto, E., Sugimura, K. Hirose, S. de Gironcoli, and R. M. Wentzcovitch, Nature of the volume isotope effect in H2O-ice, PHYSICAL REVIEW LETTERS
(2015)
online
G. Shukla, M. Topsakal, and R. Wentzcovitch, Spin crossovers in iron-bearing MgSiO3 and MgGeO3: their influence on the post-perovskite transitions, Physics of the Earth and Planetary Interiors
(2015)
online
R. Wu, M. Topsakal, M. Robbins, N. Haratipour, J. Jeong, R. Wentzcovitch, S. Koester, and K. A. Mkhoyan, Atomic and electronic structure of exfoliated black phosphorus, Journal of Vacuum Science & Technology A
(2015)
online
K. Umemoto, B. Himmetoglu, J. P. Wang, R. Wentzcovitch, and M. Cococcioni, Searching for high magnetization density in bulk Fe: the new metastable Fe6 phase, Journal of Physics: Condensed Matter
(2014)
online
K. Hirose, T. Lay, R. M. Wentzcovitch, and D. A. Yuen, Mineralogy of the deep mantle – the post-perovskite phase and its geophysical significance, Treatise on Geophysics (Second Edition)
(2015)
online
M. M. Lacerda and R. M. Wentzcovitch, Hybrid ab-initio/experimental high temperature equations of state: Application to the NaCl pressure scale, Journal of Applied Physics
(2015)
online
G. Shukla, Z. Wu, H. Hsu, A. Floris, M. Cococcioni, and R. Wentzcovitch, Thermoelasticity of Fe2+‐bearing bridgmanite, Geophyscial Research Letter
(2015)
online
H. Hsu and R. Wentzcovitch, First-principles study of intermediate-spin ferrous iron in the Earth's lower mantle, PHYSICAL REVIEW B
(2014)
online
M. Topsakal and R. Wentzcovitch, Accurate projected augmented wave (PAW) datasets for rare-earth elements (RE = La–Lu), Computational Materials Science
(2014)
online
Z. Wu and R. Wentzcovitch, Spin crossover in ferropericlase and velocity heterogeneities in the lower mantle, PNAS
(2014)
online
T. Sun, D.-B. Zhang, and R. M. Wentzcovitch, High temperature stabilization of cubic CaSiO3-perovskite at lower mantle pressures, PHYSICAL REVIEW B
(2014)
online
J. Moon, R. M. Wentzcovitch, and P. Monteiro, First-principles elasticity of monocarboaluminate hydrates, American Mineralogist
(2014)
online
D.-B. Zhang, T. Sun, and R. M. Wentzcovitch, Phonon Quasiparticles and Anharmonic Free Energy in Complex Systems, PHYSICAL REVIEW LETTERS
(2014)
online
S. Q. Wu, M. Ji, C. Z. Wang, M. C. Nguye, X. Zhao, K. Umemoto, R. M. Wentzcovitch, and K. M. Ho, Adaptive genetic algorithm for crystal structure prediction, Journal of Physics: Condensed Matter
(2013)
online
Z. Wu, J. F. Justo, and R. Wentzcovitch, Elastic Anomalies in a Spin-Crossover System: Ferropericlase at Lower Mantle Conditions, PHYSICAL REVIEW LETTERS
(2013)
online
Y. Yu, V. Vinograd, B. Winkler, and R. M. Wentzcovitch, Phase equilibria of (Mg,Fe)2SiO4 at the Earth’s upper mantle conditions from first-principles studies, Physics of the Earth and Planetary Interiors
(2013)
online
N. Tosi, D. A. Yuen, N. de Koker, and R. M. Wentzcovitch, Mantle dynamics with pressure- and temperature-dependent thermal expansivity and conductivity, Physics of the Earth and Planetary Interiors
(2013)
online
M. Núñez-Valdéz, Z. Wu, Y. Yu, and R. M. Wentzcovitch, Thermal elasticity of (Fex,Mg1-x)2SiO4 olivine and wadsleyite, Geophysical Research Letters
(2013)
online
T. Sun and R. Wentzcovitch, Direct determination of electric current in Born–Oppenheimer molecular dynamics, Chemical Physics Letters
(2012)
online
R. M. Wentzcovitch, H. Hsu, and K. Umemoto, First-principles studies of spin-state crossovers of iron in perovskite, European Journal of Mineralogy
(2012)
online
H. Hsu, Y. Yu, and R. M. Wentzcovitch, Spin crossover in iron in aluminous MgSiO3 persovskite and post-perovskite, Earth and Planetary Science Letters
(2012)
online
M. Núñez-Valdéz, Z. Wu, Y. Yu, J. Revenaugh, and R. M. Wentzcovitch, Thermoelastic properties of wadsleyite and ringwoodite (Fex,Mg1-x)2SiO4: their relationship to the 520 km seismic discontinuity, Earth and Planetary Science Letters
(2012)
online
M. Núñez-Valdéz, K. Umemoto, and R. M. Wentzcovitch, Elasticity of diamond at high pressures and temperatures, Applied Physics Letters
(2012)
online
J. Moon, S. Yoon, R. M. Wentzcovitch, S. M. Clark, and P. J.M. Monteiro, Elastic Properties of Tricalcium Aluminate from High-Pressure Experiments and First-Principles Calculations, Journal of the American Ceramic Society
(2012)
online
H. Hsu, P. Blaha, and R. M. Wentzcovitch, Ferromagnetic insulating state in tensile-strained LaCoO3 thin films from LDA + U calculations, PHYSICAL REVIEW B
(2012)
online
Y. Yu, H. Hsu, M. Cococcioni, and R. M. Wentzcovitch, Spin states and hyperfine interactions of iron incorporated in MgSiO3 post-perovskite, Earth and Planetary Science Letters
(2012)
online
M. Ji, K. Umemoto, C.-Z Wang, K.-M. Ho, and R. M. Wentzcovitch, New ice phases under ultrahigh pressure predicted using the adaptive genetic algorithm, PHYSICAL REVIEW B
(2011)
online
B. Himmetoglu, R.M. Wentzcovitch, M. Cococcioni, First-principles study of electronic and structural properties of CuO, PHYSICAL REVIEW B
(2011)
online
M. Núñez-Valdéz, P. da Silveira, R. M. Wentzcovitch, Influence of iron on the elastic properties of wadsleiyte and ringwoodite, Journal of Geophysical Research: Solid Earth
(2011)
online
K. Umemoto and R. M. Wentzcovitch, Two-stage dissociation of MgSiO3 post-perovskite, Earth and Planetary Science Letters
(2011)
online
C. Matyska, D.A. Yuen, H. Cizkova, and R. M. Wentzcovitch, The Impact of Variability in the Rheological Activation Parameters on Lower-Mantle Viscosity Stratification and its Dynamics, Physics of the Earth and Planetary Interiors
(2011)
online
M. H. Shahnas, W. R. Peltier, Z. Wu, R. M. Wentzcovitch, The High Pressure Electronic Spin Transition in Iron: Potential Impacts upon Mantle Mixing, Journal of Geophysical Research: Solid Earth
(2011)
online
K. Umemoto, R. M. Wentzcovitch, M. Hirschmann, D. Kohlstedt, and A. Withers, A first-principles investigation of hydrous defects and IR frequencies in forsterite: The case for Si vacancies, American Mineralogist
(2011)
online
Z. Wu and R. M. Wentzcovitch, Quasiharmonic thermal elasticity of crystals: an analytical approach, PHYSICAL REVIEW B
(2011)
online
S. Wu, K. Umemoto, M. Ji, C.-Z. Wang, K.-M. Ho, and R. M., Identification of post-pyrite phase transition in SiO2 by genetic algorithm, PHYSICAL REVIEW B
(2011)
online
Y.Yu, R. M. Wentzcovitch, V. Vinograd, and R. J. Angel, Thermodynamic properties of MgSiO3 majorite and phase transitions near 660-km depth in MgSiO3 and Mg2SiO4: a first principles study, Journal of Geophysical Research: Solid Earth
(2011)
online
H. Hsu, P. Blaha, M. Cococcioni, and R. M. Wentzcovitch, Spin-state crossover and hyperfine interactions of ferric iron in MgSiO3 perovskite, PHYSICAL REVIEW LETTERS
(2011)
online
H. Hsu, R. M. Wentzcovitch, K. Umemoto, and M. Cococcioni, The Hubbard U correction for iron-bearing minerals: A discussion based on (Mg,Fe)SiO3 perovskite, Physics of the Earth and Planetary Interiors
(2011)
online
K. Umemoto and R. M. Wentzcovitch, Effect of the d electrons on phase transitions in transition-metal sesquioxides, Physics and Chemistry of Minerals
(2011)
online
K. Umemoto, R. M. Wentzcovitch, S. de Gironcoli, and S. Baroni, Order-disorder phase transition in ice VII-VIII by first principles, Chemical Physics Letters
(2010)
online
H. Hsu, P. Blaha, R. M. Wentzcovitch, and C. Leighton, Cobalt spin states and hyperfine interactions in LaCoO3 investigated by LDA+U calculations, PHYSICAL REVIEW B
(2010)
online
M. Núñez-Valdéz, K. Umemoto, and R. M. Wentzcovitch, Fundamentals of elasticity of (Mg(1-x)Fex)2SiO4-olivine, Geophysical Research Letters
(2010)
online
K. Umemoto, H. Hsu, and R. M. Wentzcovitch, Effect of site degeneracies on the spin crossovers in (Mg,Fe)SiO3, Physics of the Earth and Planetary Interiors
(2010)
online
K. Umemoto and R. M. Wentzcovitch, Multi-Mbar phase transitions in minerals, Reviews in Mineralogy & Geochemistry
(2010)
online
H. Hsu, K. Umemoto, and R. M. Wentzcovitch, Spin-state crossover of iron in lower mantle minerals: results of DFT+U investigations, Reviews in Mineralogy & Geochemistry
(2010)
online
R. M. Wentzcovitch, Z. Wu, and P Carrier, First priniciples quasiharmonic thermoelasticity of mantle minerals, Reviews in Mineralogy & Geochemistry
(2010)
online
R. M. Wentzcovitch, Y. Yu, and Z. Wu, Thermodynamic properties and phase relations in mantle minerals investigated by first priniciples quasiharmonic theory, Reviews in Mineralogy & Geochemistry
(2010)
online
K. Umemoto, R. M. Wentzcovitch, S. Saito, and T. Miyaki, Body-Centered Tetragonal C-4: A Viable sp(3) Carbon Allotrope, PHYSICAL REVIEW LETTERS
(2010)
online
H. Hsu, K. Umemoto, R. M. Wentzcovitch, and P. Blaha, Spin states and hyperfine interactions of iron in (Mg,Fe)SiO3 perovskite under pressure, Earth and Planetary Science Letters
(2010)
online
Y. Yu, R. M. Wentzcovitch, and R. Angel, First principles study of thermodynamics and phase transition in low-pressure (P2(1)/c) and high-pressure (C2/c) clinoenstatite MgSiO3, Chemistry and Physics of Minerals and Rocks/Volcanology
(2010)
online
P. Giannozzi, S. Baroni, N. Bonini, M. Calandra, et al., Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials, Journal of Physics: Condensed Matter
(2009)
online
Y. Yu and R.M. Wentzcovitch, Low-pressure clino- to high-pressure clinoenstatite phase transition: A phonon-related mechanism, American Mineralogist
(2009)
online
Z. Wu, J. F. Justo, C. R. S. da Silva, S. de Gironcoli, and R. M. Wentzcovitch, Anomalous thermodynamic properties in ferropericlase throughout its spin crossover transition, PHYSICAL REVIEW B
(2009)
online
H. Hsu, K. Umemoto, M. Cococcioni, and R. M. Wentzcovitch, First principles study of low-spin LaCoO3 with structurally consistent Hubbard U, PHYSICAL REVIEW B
(2009)
online
Z. Wu. and R. M. Wentzcovitch, An effective semi-empirical ansatz for computing anharmonic free energies, PHYSICAL REVIEW B
(2009)
online
R. M. Wentzcovitch, J. F. Justo, Z. Wu, C. R. S. da Silva, D. Yuen, and D. Kohlstedt, Anomalous compressibility of ferropericlase throughout the iron spin crossover, PNAS
(2009)
online
Pierre Carrier, João F. Justo, and Renata M. Wentzcovitch, Quasiharmonic elastic constants corrected for deviatoric thermal stresses, PHYSICAL REVIEW B
(2008)
online
P. da Silveira, C. R. S. da Silva, and R. M. Wentzcovitch, Metadata management for distributed first principles calculations in VLab—A collaborative cyberinfrastructure for materials computation, Computer Physics Communications
(2008)
online
K. Umemoto, R. Wentzcovitch, Y. Yu, R. Requist, Spin transition in (Mg,Fe)SiO3 perovskite under pressure, Earth and Planetary Science Letters
(2008)
online
T. Sun, K. Umemoto, A. Wu, J.-C. Zheng, R. Wentzcovitch, Lattice dynamics and thermal equation of state of platinum, PHYSICAL REVIEW B
(2008)
online
Y. Yu, Z. Wu, R. M. Wentzcovitch, $\alpha–\beta–\gamma$ transformations in Mg2SiO4 in Earth's transition zone, Earth and Planetary Science Letters
(2008)
online
Z. Wu, R. M. Wentzcovitch, K. Umemoto, B. Li, and K. Hirose, Pressure‐volume‐temperature relations in MgO: An ultrahigh pressure‐temperature scale for planetary sciences applications, Journal of Geophysical Research: Solid Eart
(2008)
online
Correction:
Pressure‐volume‐temperature relations in MgO: An ultrahigh pressure‐temperature scale for planetary sciences applications,
Z. Wu, R. M. Wentzcovitch, K. Umemoto, B. Li, and K. Hirose,
Journal of Geophysical Research: Solid Eart
(2010)
online
K. Umemoto and R. Wentzcovitch, Prediction of an U2S3-type polymorph of Al2O3 at 3.7 Mbar, PNAS
(2008)
online
J. Tsuchiya, T. Tsuchiya, and R. M. Wentzcovitch, Vibrational properties of δ-AlOOH under pressure, American Mineralogist
(2018)
online
P. Carrier, R. M. Wentzcovitch, and J. Tsuchiya, First-principles prediction of crystal structures at high temperatures using the quasiharmonic approximation, PHYSICAL REVIEW B
(2007)
online
Erratum:
First-principles prediction of crystal structures at high temperatures using the quasiharmonic approximation,
P. Carrier, R. M. Wentzcovitch, and J. Tsuchiya,
PHYSICAL REVIEW B
(2007)
online
Z. Wu and R. M. Wentzcovitch, Vibrational and thermodynamic properties of wadsleyite: A density functional study, Journal of Geophysical Research: Solid Eart
(2007)
online
C. R. S. da Silva, P. R. C. da Silveira, B. B. Karki, R. M Wentzcovitch, P. A. Jensen, E. F. Bollig, M. Pierce, G. Erlebacher, D. A. Yuen, Virtual laboratory for planetary materials: System service architecture overview, Physics of the Earth and Planetary Interiors
(2007)
online
L. Li, R. M. Wentzcovitch, D. Weidner, C. R. S. da Silva, Vibrational and thermodynamic properties of forsterite, Journal of Geophysical Research: Solid Earth
(2007)
online
Correction:
Vibrational and thermodynamic properties of forsterite,
L. Li, R. M. Wentzcovitch, D. Weidner, C. R. S. da Silva,
Journal of Geophysical Research: Solid Earth
(2008)
online
Y. Yu, R.M. Wentzcovitch, T. Tsuchiya, K. Umemoto, First principles investigation of the postspinel transition in Mg2SiO4, Geophysical Research Letter
(2007)
online
J. F. Lin, S. Jacobsen, R. M. Wentzcovitch, Electronic spin transition of iron in Earth’s lower mantle, Eos, Transactions American Geophysical Union
(2007)
online
C. Leighton, A. Cady, J.W. Freeland, M. Manno, L. Wang, K. Umemoto, R.M. Wentzcovitch, T.Y. Chen, C.L. Chien, P.L. Kuhns, M.J.R. Hoch, A.P. Reyes, W.G. Moulton, E.D. Dahlberg, J. Checkelsky, and J. Eckert, Composition controlled spin polarization in Co1-xFexS2 alloys, Journal of Physics: Condensed Matter
(2007)
online
R. Wentzcovitch, T. Tsuchiya, J. Tsuchiya, K. Umemoto, Thermodynamic Properties and Stability Field of MgSiO3 Post‐Perovskite, Post‐Perovskite: The Last Mantle Phase Transition, Volume 174
(2007)
online
C. R. S. da Silva, P. da Silveira, B. B. Karki, R. M. Wentzcovitch, P. A. Jensen, E. F. Bollig, M. Pierce, G. Erlebacher, and D. A. Yuen, Virtual laboratory for planetary materials: System service architecture overview, Physics of the Earth and Planetary Interiors
(2007)
online
K. Umemoto and R. M. Wentzcovitch, Potential ultrahigh pressure polymorphs of ABX3-type compounds, PHYSICAL REVIEW B
(2006)
online
R.M. Wentzcovitch, T. Tsuchiya, J. Tsuchiya,, MgSiO3 postperovskite at D″ conditions, PNAS
(2006)
online
K. Umemoto, R. M. Wentzcovitch, and P. B. Allen, Dissociation of MgSiO3 in the Cores of Gas Giants and Terrestrial Exoplanets, Science
(2006)
online
T. Tsuchiya, R.M. Wentzcovitch, C. R. S. da Silva, S. de Gironcoli, Spin Transition in Magnesiowüstite in Earth’s Lower Mantle, PHYSICAL REVIEW LETTERS
(2006)
online
R. Caracas and R. M. Wentzcovitch, Theoretical determination of the structures of CaSiO3 perovskites, Acta Crystallographica Section B (STRUCTURAL SCIENCE)
(2006)
online
L. Li, D. Weidner, J. Brodholt, D. Alfve’, G. D. Price, R. Caracas, and R. M. Wentzcovitch, Elasticity of CaSiO3 perovskite at high pressure and high temperature, Physics of the Earth and Planetary Interiors
(2006)
online
L. Li, D. Weidner, J. Brodholt, D. Alfve’, G. D. Price, and R. M. Wentzcovitch, Phase stability of CaSiO3 perovskite at high pressure and temperature: Insights from ab initio molecular dynamics, Physics of the Earth and Planetary Interiors
(2006)
online
Y. Yu and R.M. Wentzcovitch, Vibrational and thermodynamic properties of Ringwoodite, Journal of Geophysical Research: Solid Earth
(2006)
online
L. Wang, K. Umemoto, R. M. Wentzcovitch, T.Y. Chen, C.L. Chien, J.G. Checkelsky, J.C. Eckert, E.D. Dahlberg, and C. Leighton, Composition controlled spin polarization in Co1-xFexS2: Electronic, magnetic, and thermodynamic properties, PHYSICAL REVIEW B
(2006)
online
K. Umemoto, R. M. Wentzcovitch, J. Parise, and D. Weidner, NaMgF3: A low‐pressure analog of MgSiO2, Geophysical Research Letters
(2006)
online
K. Umemoto, R. M. Wentzcovitch, L. Wang, and C. Leighton, Electronic structure of Co1-xFexS2, Physica Status Solidi (b)
(2006)
online
J. R. Chelikowsky, T. Kaxiras, and R. M. Wentzcovitch, Theory of spintronic materials, Physica Status Solidi (b)
(2006)
online
T. Tsuchiya, R. M. Wentzcovitch, C. R. S. da Silva, S. de Gironcoli, and J. Tsuchiya, Pressure induced high spin to low spin transition in magnesiowüstite, Physica Status Solidi (b)
(2006)
online
T. Lay, D. Heinz, M. Ishii, S.-H. Shim, J. Tsuchiya, T. Tsuchiya, R. Wentzcovitch, and D. Yuen, Multidisciplinary impact of the deep mantle phase transition in perovskite structure, EoS
(2005)
online
K. Umemoto and R. M. Wentzcovitch, Low ↔ High Density Transformations in H2O-ice, Chemical Physics Letters
(2005)
online
K. Umemoto and R. M. Wentzcovitch, Theoretical study of the isostructural transformation in ice VIII, PHYSICAL REVIEW B
(2005)
online
R. Caracas, R. M. Wentzcovitch, G. D. Price, and J. Brodholt, CaSiO3 perovskite at lower mantle pressures, Geophysical Research Letters
(2005)
online
L. Wang, K. Umemoto, R.M. Wentzcovitch, T.Y. Chen, C.L. Chien, J.G. Checkelsky, J.C. Eckert, E.D. Dahlberg and C. Leighton, Co1-xFexS2: A Tunable Source of Highly Spin-Polarized Electrons, PHYSICAL REVIEW LETTERS
(2005)
online
J. Tsuchiya, T. Tsuchiya, and R. M. Wentzcovitch, Vibrational and thermodynamic properties of MgSiOS3 post-perovskite, Journal of Geophysical Research: Solid Earth
()
online
J. Tsuchiya, T. Tsuchiya, R.M. Wentzcovitch, Transition from Rh2O3(II) to CaIrO3-type structure and the high-pressure-temperature phase diagram of alumina, PHYSICAL REVIEW B
(2005)
online
T. Tsuchiya, J. Tsuchiya, R. M. Wentzcovitch, Post-perovskite MgSiO3 investigated by first principles, Superplumes: Beyond Plate Tectonics
(2005)
online
R. M. Wentzcovitch, B. B. Karki, M. Cococcioni, and S. de Gironcoli, Thermoelastic properties of of MgSiO3 perovskite: insights on the nature of the Earth’s lower mantle, PHYSICAL REVIEW LETTERS
(2004)
online
K. Umemoto, R. M. Wentzcovitch, S. Baroni, and S. de Gironcoli, Anomalous pressure-induced transition(s) in ice XI, PHYSICAL REVIEW LETTERS
(2004)
online
K. Umemoto and R. M. Wentzcovitch, Amorphization in quenched ice VIII: A first-principles study, PHYSICAL REVIEW B
(2004)
online
R. M. Wentzcovitch, L. Stixrude, B. B. Karki, and B. Kiefer, Akimotoite to perovskite phase transition in MgSiO3, Geophysical Research Letters
(2004)
online
T. Tsuchiya, J. Tsuchiya, K. Umemoto, and R. M. Wentzcovitch, Phase Transition in MgSiO3-perovskite in the Earth’s Lower Mantle, Earth and Planetary Science Letters
(2004)
online
T. Tsuchiya, J. Tsuchiya, K. Umemoto, and R. M. Wentzcovitch, Elasticity of MgSiO3-post-perovskite, Geophysical Research Letters
(2004)
online
R. Caracas and R. M. Wentzcovitch, Equation of state and elasticity of FeSi, Geophysical Research Letters
(2004)
online
B. B. Karki and R. M. Wentzcovitch, Vibrational and quasiharmonic thermal properties of CaO, PHYSICAL REVIEW B
(2003)
online
A. Yu. Dobin, K. R. Nikolaev, I. N. Krivorotov, R. M. Wentzcovitch, E. D. Dahlberg, and A. M. Goldman, Electronic and crystal structure of fully strained LaNiO3 films, PHYSICAL REVIEW B
(2003)
online
B. B. Karki and R. M. Wentzcovitch, First-principles lattice dynamics and thermoelasticity of MgSiO3 ilmenite at high pressure, Journal of Geophysical Research: Solid Eart
(2002)
online
B. Kiefer, L. Stixrude, and R. M. Wentzcovitch, Elasticity of (Mg,Fe)SiO3-perovskite at lower mantle conditions, Geophysical Research Letters
(2002)
online
W. Duan, B. B. Karki, R. M. Wentzcovitch, and B. L. Gu, Ab initio study of MgSiO3 low-clinoenstatite at high pressure, American Mineralogist
(2001)
online
A. Dobin and R. M. Wentzcovitch, First principles description of the paramagnetic insulating state of chromia, Journal of Applied Physics
(2001)
online
B. B. Karki, R. M. Wentzcovitch, S. de Gironcoli, and S. Baroni, First principles thermoelasticity of MgSiO3 perovskite: consequences for the inferred properties of the lower mantle, Geophysical Research Letters
(2001)
online
B. B. Karki, L. Stixrude, and R. M. Wentzcovitch, High-pressure elastic properties of major materials of Earth's mantle from first principles, Reviews of Geophysics
(2001)
online
I. N. Krivorotov, K.R. Nikolaev, A. Dobin, R. M. Wentzcovitch, A. Goldman, and D. Dahlberg, Temperature dependence of exchange bias in La1/3Ca2/3MnO3 and La2/3 Ca1/3MnO3 heterostructures,, Journal of Applied Physics
(2001)
online
C. R. S. da Silva, R. M. Wentzcovitch, A. Patel, G. D. Price, and S. I Karato, The composition and geotherm of the lower mantle: constraints from the elasticity of silicate perovskite, Physics of the Earth and Planetary Interiors
(2000)
online
B. B. Karki, R. M. Wentzcovitch, S. de Gironcoli, and S. Baroni, High-pressure lattice dynamics and thermoelasticity of MgO, PHYSICAL REVIEW B
(2000)
online
B. B. Karki, W. Duan, C. R. S. da Silva, and R. M. Wentzcovitch, Ab initio study of MgSiO3 ilmenite at high pressures, American Mineralogist
(2000)
online
D. W. Dean, R. M. Wentzcovitch, N. Keskar, J. R. Chelikowsky, and N. Binggeli, Pressure-induced amorphization in crystalline silica: Soft phonon modes and shear instabilities in coesite, PHYSICAL REVIEW B
(2000)
online
A. Dobin, W. Duan, and R. M. Wentzcovitch, Magnetostructural effects and phase transition in Cr2O3 under pressure, PHYSICAL REVIEW B
(2000)
online
B. B. Karki, R. M. Wentzcovitch, S. de Gironcoli, and S. Baroni, Ab initio lattice dynamics of MgSiO3 perovskite, PHYSICAL REVIEW B
(2000)
online
K. R. Nikolaev, A. Yu. Dobin, I. N. Krivorotov, W. K. Cooley, A. Bhattacharya, A. L. Kobrinskii, L. 1. Glazman, R. M. Wentzcovitch, E. Dan Dahlberg, and A. M. Goldman, Oscillatory Exchange Coupling and Positive Magnetoresistance in Epitaxial Oxide Heterostructures, PHYSICAL REVIEW LETTERS
(2000)
online
B. Kiefer, L. P. Stixrude, and R. M. Wentzcovitch, Normal and inverse ringwoodite at high pressures, American Mineralogist
(1999)
online
C. R. S. da Silva, B. B. Karki, L. Stixrude, and R. M. Wentzcovitch, Ab initio study of the elastic behavior of MgSiO3 ilmenite at high pressure, Geophysical Research Letters
(1999)
online
W. Duan, R. M. Wentzcovitch, and J. R. Chelikowsky, First-principles search for high-pressure phases of GaAsO4, PHYSICAL REVIEW B
(1999)
online
W. Duan, B. B. Karki, and R. M. Wentzcovitch, High pressure elasticity of alumina studied by first principles, American Mineralogist
(1999)
online
B. B. Karki, R. M. Wentzcovitch. S. de Gironcoli, and S. Baroni, First principles determination elastic anisotropy and wave velocities of MgO at lower mantle conditions, Science
(1999)
online
Correction:
First principles determination elastic anisotropy and wave velocities of MgO at lower mantle conditions,
B. B. Karki, R. M. Wentzcovitch. S. de Gironcoli, and S. Baroni,
Science
(2000)
online
R. M. Wentzcovitch, C. R. S. da Silva, J. R. Chelikowsky, and N. Binggeli, New phase and pressure induced amorphization in silica, PHYSICAL REVIEW LETTERS
(1998)
online
K. T. Thomson, R. M. Wentzcovitch, A. McCormick, and H. T. Davis, First principles study of sodalite: a new view on an old system, Chemical Physics Letters
(1998)
online
W. Duan, R. M. Wentzcovitch, and K. T. Thomson, First-principles study of high-pressure alumina polymorphs, Phys. Rev. B
(1998)
online
K. T. Thomson and R. M. Wentzcovitch, A density functional study of the electronic structure of sodalite, J. Chem. Phys
(1998)
online
R. M. Wentzcovitch, B. B. Karki, S. I. Karato, and C. R. S. da Silva, High pressure elastic anisotropy of MgSiO3-perovskite and geophysical implications, Earth and Planetary Science Letters
(1998)
online
W. Duan, G. Paiva, R. M. Wentzcovitch, and A. Fazzio, Optical transitions in ruby across the corundum to Rh2O3 phase transformation, PHYSICAL REVIEW LETTERS
(1998)
online
R. M. Wentzcovitch and L. P. Stixrude, Crystal chemistry of forsterite: a first principles study, American Mineralogist
(1997)
online
C. R. S. da Silva and R. M. Wentzcovitch, First principles investigation of the A7 to simple cubic transformation in As, Computational Materials Science
(1997)
online
C. R. S. da Silva, L. P. Stixrude, and R. M. Wentzcovitch, Elastic constants and anisotropy of forsterite at high pressure, Geophysical Research Letters
(1997)
online
B. Kiefer, L. Stixrude, and R. M. Wentzcovitch, Elastic constants and anisotropy of Mg2SiO4 spinal at high pressure, Geophysical Research Letters
(1997)
online
R. M. Wentzcovitch and G. D. Price, High pressure studies of mantle minerals by _ab initio_ variable cell shape molecular dynamics, Molecular Engineering
(2016)
online
K. Thomson, R. M. Wentzcovitch, and M. S. T. Bukowinski, Polymorphs of alumina predicted by first principles: putting pressure on the ruby pressure scale, Science
(1996)
online
C. Leung, M. Weinert, P. B Allen, and R. M. Wentzcovitch, First principles study of titanium oxides, PHYSICAL REVIEW B
(1996)
online
R. M. Wentzcovitch, N. Ross, and G. D. Price, _Ab initio_ investigation of MgSiO3 and CaSiO3 perovskites at lower mantle pressures, Physics of the Earth and Planetary Interiors
(1995)
online
R. M. Wentzcovitch, D. A. Hugh Jones, R. J. Angel, and G. D. Price, _Ab initio_ study of MgSiO3 C2/c enstatite, Physics and Chemistry of Minerals
(1995)
online
R. M. Wentzcovitch, First principles molecular dynamics with variable cell shape, Quantum Theory of Real Materials, ed. by J. R. Chelikowsky and S. G. Louie, Kluwer Acad.
(1996)
online
R. M. Wentzcovitch, W. Schulz, and P. B. Allen, VO2: Peierls or Mott Hubbard? A view from band theory, PHYSICAL REVIEW LETTERS
(1994)
online
N. Binggeli, J. R. Chelikowsky, and R. M. Wentzcovitch, Simulating the pressure induced amorphization in $\alpha$ quartz, PHYSICAL REVIEW B
(1994)
online
G. Loupias, R. M. Wentzcovitch, L. Bellaiche, J. Muscovici, and S. Rabii, Investigation of electronic distribution in hexagonal BN by Compton scattering, PHYSICAL REVIEW B
(1994)
online
R. M. Wentzcovitch, The hcp to bcc pressure induced transition in Mg simulated by _ab initio_ molecular dynamics, PHYSICAL REVIEW B
(1994)
online
A. Y. Liu and R. M. Wentzcovitch, Stability of carbon nitride solids, PHYSICAL REVIEW B
(1994)
online
N. Keskar, J. R. Chelikowsky, and R. M. Wentzcovitch, Mechanical instabilities in AIPO4, PHYSICAL REVIEW B
(1994)
online
R. M. Wentzcovitch, W. Schulz, and P. B. Allen, Reply to T. M. Rice, H. Launois, and J. P. Pouget's comment on: VO2: Peierls or Mott Hubbard? A view from band theory, PHYSICAL REVIEW LETTERS
(1994)
online
J. D. Althof, P. B. Allen, R. M. Wentzcovitch, and J. A. Moriarty, Phase diagram and thermodynamic properties of solid magnesium in the quasi harmonic approximation, PHYSICAL REVIEW B
(1993)
online
P. B. Allen, R. M. Wentzcovitch, W. W. Schulz, and J. C. Canfield, Resistivity of the high temperature phase of VO2, PHYSICAL REVIEW B
(1993)
online
W. W. Schulz and R. M. Wentzcovitch, Electronic structure and bonding in Nb3O3, PHYSICAL REVIEW B
(1993)
online
R. M. Wentzcovitch, J. L. Martins, and G. D. Price, _Ab initio_ molecular dynamics with variable cell shape: application to MgSiO3, PHYSICAL REVIEW LETTERS
(1993)
online
J. B. Hannon, E. W. Plummer, R. M. Wentzcovitch, and P. K. Lam, The (1×3) missing row surface reconstruction of Be (1120), Surface Science
(1992)
online
R. M. Wentzcovitch, J. L. Martins, and P. B. Allen, Energy vs. free energy conservation in first principles molecular dynamics, PHYSICAL REVIEW B
(1992)
online
W. W. Schulz, L. Forro, C. Kendziora, R. M. Wentzcovitch, D. Mandrus, L. Miliali, and P. B. Allen, Band structure and electronic transport of NbO, PHYSICAL REVIEW B
(1992)
online
J. H. Kim, K. Levin, R. M. Wentzcovitch, and A. Auerbach, Electron phonon interactions in the high temperature superconductors, PHYSICAL REVIEW B
(1991)
online
R. M. Wentzcovitch, Invariant molecular dynamics approach to structural phase transitions, PHYSICAL REVIEW B
(1991)
online
R. M. Wentzcovitch and J. L. Martins, First principles molecular dynamics of Li: Test of a new algorithm, Solid State Communications
(1991)
online
D. A. Fischer, R. M. Wentzcovitch, R. G. Carr, A. Continenza, and A. J. Freeman, Graphitic interlayer states: a carbon K edge NEXAFS study, PHYSICAL REVIEW B
(1991)
online
R. M. Wentzcovitch and P. K. Lam, hcp to fcc transformation: a first principles investigation, PHYSICAL REVIEW B
(1991)
online
R. M. Wentzcovitch and H. Krakauer, On the martensitic transformation of Ca, PHYSICAL REVIEW B
(1990)
online
P. K. Lam, R. M. Wentzcovitch, and M. L. Cohen, High density phases of boron nitride in _Synthesis and Properties of Boron Nitride_, Materials Science Forum, ed. by J. Pouch and S. A. Alterovitz, Trans Tech Publications, Aedermannsdorg, Switzerland
(1990)
online
A. Liu, R. M. Wentzcovitch, and M. L. Cohen, Atomic arrangement and electronic structure of BC2N, PHYSICAL REVIEW B
(1989)
online
E. Knittel, R. M. Wentzcovitch, R. Jeanloz, and M. L. Cohen, Experimental and theoretical equations of state of cubic boron nitride, Nature
(1989)
online
J. H. Kim, K. Levin, R. M. Wentzcovitch, and A. Auerbach, Electron phonon interactions in copper oxides: implications for the resistivity, PHYSICAL REVIEW B
(1989)
online
A. Continenza, R. M. Wentzcovitch, and A. J. Freeman, Theoretical investigation of graphitic BeO, PHYSICAL REVIEW B
(1990)
online
J. H. Kim, K. Levin, R. M. Wentzcovitch, and A. Auerbach, Electron-phonon interactions in copper-oxides, Physica C: Superconductivity and its Applications
(1989)
online
R. M. Wentzcovitch and M. L. Cohen, Theoretical model for hcp to bcc transition in Mg, PHYSICAL REVIEW B
(1988)
online
D. Tomanek, R. M. Wentzcovitch, S. G. Louie, and M. L. Cohen, Calculation of the electronic and structural properties of BC3, PHYSICAL REVIEW B
(1988)
online
R. M. Wentzcovitch, S. Fahy, S. G. Louie, and M. L. Cohen, _Ab initio_ study of the 'graphite to diamond'-like transitions in BN, PHYSICAL REVIEW B
(1988)
online
R. M. Wentzcovitch, M. L. Cohen, S. G. Louie, and D. Tomanek, σ states contribution to the conductivity of BC3, Solid State Communications
(1988)
online
A. Liu, R. M. Wentzcovitch, and M. L. Cohen,, Electronic and structural properties of WC, PHYSICAL REVIEW B
(1988)
online
R. M. Wentzcovitch, M. L. Cohen, and S. G. Louie, Comparative study of the density of states of graphite and BC3, Physics Letters A
(1988)
online
R.M. Wentzcovitch, M. Cardona, M.L. Cohen, and N. Christensen, X1 and X3 states of electrons and phonons in zincblende semiconductors, Solid State Communications
(1988)
online
R. M. Wentzcovitch, M. L. Cohen, and P. K. Lam, Theoretical study of BN, BP and BAs at high pressures, PHYSICAL REVIEW B
(1987)
online
R. M. Wentzcovitch, S. L. Richardson, and M. L. Cohen, Electronic charge densities at valence and conduction band edges in ZnSe and CdTe, Physics Letters A
(1986)
online
R. M. Wentzcovitch, K. J. Chang, and M. L. Cohen, Electronic and structural properties of BN and BP, PHYSICAL REVIEW B
(1986)
online
R. M. Wentzcovitch and M. L. Cohen, Theory of electronic and structural properties of BAs, Journal of Physics C: Solid State Physics
(1986)
online
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