| Year |
Citation |
Score |
| 2024 |
Musfeldt JL, Singh S, Fan S, Gu Y, Xu X, Cheong SW, Liu Z, Vanderbilt D, Rabe KM. Structural phase purification of bulk HfO:Y through pressure cycling. Proceedings of the National Academy of Sciences of the United States of America. 121: e2312571121. PMID 38266049 DOI: 10.1073/pnas.2312571121 |
0.514 |
|
| 2023 |
Bonini J, Ren S, Vanderbilt D, Stengel M, Dreyer CE, Coh S. Frequency Splitting of Chiral Phonons from Broken Time-Reversal Symmetry in CrI_{3}. Physical Review Letters. 130: 086701. PMID 36898102 DOI: 10.1103/PhysRevLett.130.086701 |
0.679 |
|
| 2021 |
Liu X, Singh S, Drouin-Touchette V, Asaba T, Brewer J, Zhang Q, Cao Y, Pal B, Middey S, Kumar PSA, Kareev M, Gu L, Sarma DD, Shafer P, Arenholz E, ... ... Vanderbilt D, et al. Proximate Quantum Spin Liquid on Designer Lattice. Nano Letters. PMID 33617255 DOI: 10.1021/acs.nanolett.0c04498 |
0.711 |
|
| 2020 |
Singh S, Kim J, Rabe KM, Vanderbilt D. Engineering Weyl Phases and Nonlinear Hall Effects in T_{d}-MoTe_{2}. Physical Review Letters. 125: 046402. PMID 32794815 DOI: 10.1103/Physrevlett.125.046402 |
0.773 |
|
| 2020 |
Sass PM, Kim J, Vanderbilt D, Yan J, Wu W. Robust A-Type Order and Spin-Flop Transition on the Surface of the Antiferromagnetic Topological Insulator MnBi_{2}Te_{4}. Physical Review Letters. 125: 037201. PMID 32745385 DOI: 10.1103/Physrevlett.125.037201 |
0.351 |
|
| 2020 |
Neal SN, Kim HS, O'Neal KR, Haglund AV, Smith KA, Mandrus DG, Bechtel HA, Carr GL, Haule K, Vanderbilt D, Musfeldt JL. Symmetry crossover in layered M PS 3 complexes (M =Mn , Fe , Ni ) via near-field infrared spectroscopy Physical Review B. 102: 85408. DOI: 10.1103/Physrevb.102.085408 |
0.529 |
|
| 2020 |
Kim H, Haule K, Vanderbilt D. Molecular Mott state in the deficient spinel
GaV4S8 Physical Review B. 102. DOI: 10.1103/Physrevb.102.081105 |
0.58 |
|
| 2020 |
Bonini J, Vanderbilt D, Rabe KM. Berry flux diagonalization: Application to electric polarization Physical Review B. 102. DOI: 10.1103/Physrevb.102.045141 |
0.576 |
|
| 2020 |
Olsen T, Rauch T, Vanderbilt D, Souza I. Gapless hinge states from adiabatic pumping of axion coupling Physical Review B. 102. DOI: 10.1103/Physrevb.102.035166 |
0.311 |
|
| 2020 |
Dally RL, Ratcliff WD, Zhang L, Kim H, Bleuel M, Kim JW, Haule K, Vanderbilt D, Cheong S, Lynn JW. Magnetic phase transitions and spin density distribution in the molecular multiferroic system
GaV4S8 Physical Review B. 102. DOI: 10.1103/Physrevb.102.014410 |
0.591 |
|
| 2020 |
Varnava N, Souza I, Vanderbilt D. Axion coupling in the hybrid Wannier representation Physical Review B. 101. DOI: 10.1103/Physrevb.101.155130 |
0.351 |
|
| 2020 |
Choi S, Kim H, Kim H, Krajewska A, Kim G, Minola M, Takayama T, Takagi H, Haule K, Vanderbilt D, Keimer B. Lattice dynamics and structural transition of the hyperhoneycomb iridate
β−Li2IrO3
investigated by high-pressure Raman scattering Physical Review B. 101. DOI: 10.1103/Physrevb.101.054102 |
0.552 |
|
| 2019 |
Kim HS, Haule K, Vanderbilt D. Mott Metal-Insulator Transitions in Pressurized Layered Trichalcogenides. Physical Review Letters. 123: 236401. PMID 31868467 DOI: 10.1103/Physrevlett.123.236401 |
0.602 |
|
| 2019 |
Liu X, Singh S, Kirby BJ, Zhong Z, Cao Y, Pal B, Kareev M, Middey S, Freeland JW, Shafer P, Arenholz E, Vanderbilt D, Chakhalian J. Emergent Magnetic State in (111)-Oriented Quasi-Two-Dimensional Spinel Oxides. Nano Letters. PMID 31665887 DOI: 10.1021/Acs.Nanolett.9B02159 |
0.73 |
|
| 2019 |
Pizzi G, Vitale V, Arita R, Bluegel S, Freimuth F, Géranton G, Gibertini M, Gresch D, Johnson C, Koretsune T, Ibanez J, Lee H, Lihm JM, Marchand D, Marrazzo A, ... ... Vanderbilt D, et al. Wannier90 as a community code: new features and applications. Journal of Physics. Condensed Matter : An Institute of Physics Journal. PMID 31658458 DOI: 10.1088/1361-648X/Ab51Ff |
0.747 |
|
| 2019 |
Huang FT, Joon Lim S, Singh S, Kim J, Zhang L, Kim JW, Chu MW, Rabe KM, Vanderbilt D, Cheong SW. Polar and phase domain walls with conducting interfacial states in a Weyl semimetal MoTe. Nature Communications. 10: 4211. PMID 31527602 DOI: 10.1038/S41467-019-11949-5 |
0.77 |
|
| 2019 |
Liu X, Kotiuga M, Kim HS, N'Diaye AT, Choi Y, Zhang Q, Cao Y, Kareev M, Wen F, Pal B, Freeland JW, Gu L, Haskel D, Shafer P, Arenholz E, ... ... Vanderbilt D, et al. Interfacial charge-transfer Mott state in iridate-nickelate superlattices. Proceedings of the National Academy of Sciences of the United States of America. PMID 31527227 DOI: 10.1073/Pnas.1907043116 |
0.7 |
|
| 2019 |
Jiang Z, Paillard C, Vanderbilt D, Xiang H, Bellaiche L. Designing Multifunctionality via Assembling Dissimilar Materials: Epitaxial AlN/ScN Superlattices. Physical Review Letters. 123: 96801. PMID 31524461 DOI: 10.1103/Physrevlett.123.096801 |
0.328 |
|
| 2019 |
Moon J, Kim J, Koirala N, Salehi M, Vanderbilt D, Oh S. Ferromagnetic anomalous Hall effect in Cr-doped BiSe thin films via surface-state engineering. Nano Letters. PMID 31038971 DOI: 10.1021/Acs.Nanolett.8B03745 |
0.311 |
|
| 2019 |
Bellaiche L, Garcia A, Vanderbilt D. Finite-temperature properties of Pb(Zr1-xTi(x))O3 alloys from first principles Physical Review Letters. 84: 5427-30. PMID 10990960 DOI: 10.1103/Physrevlett.84.5427 |
0.316 |
|
| 2019 |
Padilla J, Zhong W, Vanderbilt D. First-principles investigation of 180 degrees domain walls in BaTiO3. Physical Review. B, Condensed Matter. 53: R5969-R5973. PMID 9982088 DOI: 10.1103/Physrevb.53.R5969 |
0.316 |
|
| 2019 |
Schiaffino A, Dreyer CE, Vanderbilt D, Stengel M. Metric wave approach to flexoelectricity within density functional perturbation theory Physical Review B. 99. DOI: 10.1103/Physrevb.99.085107 |
0.338 |
|
| 2019 |
Mandal S, Haule K, Rabe KM, Vanderbilt D. Influence of magnetic ordering on the spectral properties of binary transition metal oxides Physical Review B. 100. DOI: 10.1103/Physrevb.100.245109 |
0.707 |
|
| 2019 |
Kim J, Rabe KM, Vanderbilt D. Negative piezoelectric response of van der Waals layered bismuth tellurohalides Physical Review B. 100. DOI: 10.1103/Physrevb.100.104115 |
0.542 |
|
| 2019 |
Neal SN, Kim H, Smith KA, Haglund AV, Mandrus DG, Bechtel HA, Carr GL, Haule K, Vanderbilt D, Musfeldt JL. Near-field infrared spectroscopy of monolayer
MnPS3 Physical Review B. 100. DOI: 10.1103/Physrevb.100.075428 |
0.54 |
|
| 2019 |
Mandal S, Haule K, Rabe KM, Vanderbilt D. Systematic beyond-DFT study of binary transition metal oxides Npj Computational Materials. 5. DOI: 10.1038/s41524-019-0251-7 |
0.627 |
|
| 2018 |
Gong C, Xie Y, Chen Y, Kim HS, Vanderbilt D. Symmorphic Intersecting Nodal Rings in Semiconducting Layers. Physical Review Letters. 120: 106403. PMID 29570330 DOI: 10.1103/Physrevlett.120.106403 |
0.323 |
|
| 2018 |
Varnava N, Vanderbilt D. Surfaces of axion insulators Physical Review B. 98. DOI: 10.1103/Physrevb.98.245117 |
0.326 |
|
| 2018 |
Ye M, Kim H, Kim J, Won C, Haule K, Vanderbilt D, Cheong S, Blumberg G. Covalency-driven collapse of strong spin-orbit coupling in face-sharing iridium octahedra Physical Review B. 98. DOI: 10.1103/Physrevb.98.201105 |
0.617 |
|
| 2018 |
Chen C, Kim H, Admasu AS, Cheong S, Haule K, Vanderbilt D, Wu W. Trimer bonding states on the surface of the transition-metal dichalcogenide
TaTe2 Physical Review B. 98. DOI: 10.1103/Physrevb.98.195423 |
0.553 |
|
| 2018 |
Kim J, Kim H, Vanderbilt D. Nearly triple nodal point topological phase in half-metallic GdN Physical Review B. 98. DOI: 10.1103/Physrevb.98.155122 |
0.359 |
|
| 2018 |
Birol T, Haule K, Vanderbilt D. Nature of the magnetic interactions in
Sr3NiIrO6 Physical Review B. 98. DOI: 10.1103/Physrevb.98.134432 |
0.593 |
|
| 2018 |
Stengel M, Vanderbilt D. Quantum theory of mechanical deformations Physical Review B. 98. DOI: 10.1103/Physrevb.98.125133 |
0.32 |
|
| 2018 |
Gao Y, Vanderbilt D, Xiao D. Microscopic theory of spin toroidization in periodic crystals Physical Review B. 97. DOI: 10.1103/Physrevb.97.134423 |
0.335 |
|
| 2017 |
Monserrat B, Bennett JW, Rabe KM, Vanderbilt D. Antiferroelectric Topological Insulators in Orthorhombic AMgBi Compounds (A=Li, Na, K). Physical Review Letters. 119: 036802. PMID 28777633 DOI: 10.1103/Physrevlett.119.036802 |
0.582 |
|
| 2017 |
Zhang H, Haule K, Vanderbilt D. Metal-Insulator Transition and Topological Properties of Pyrochlore Iridates. Physical Review Letters. 118: 026404. PMID 28128605 DOI: 10.1103/Physrevlett.118.026404 |
0.671 |
|
| 2017 |
Monserrat B, Vanderbilt D. Temperature dependence of the bulk Rashba splitting in the bismuth tellurohalides Physical Review Materials. 1. DOI: 10.1103/Physrevmaterials.1.054201 |
0.323 |
|
| 2017 |
Gresch D, Autès G, Yazyev OV, Troyer M, Vanderbilt D, Bernevig BA, Soluyanov AA. Z2Pack: Numerical implementation of hybrid Wannier centers for identifying topological materials Physical Review B. 95. DOI: 10.1103/Physrevb.95.075146 |
0.676 |
|
| 2017 |
Ye M, Vanderbilt D. Domain walls and ferroelectric reversal in corundum derivatives Physical Review B. 95. DOI: 10.1103/Physrevb.95.014105 |
0.353 |
|
| 2016 |
Liu J, Park SY, Garrity KF, Vanderbilt D. Flux States and Topological Phases from Spontaneous Time-Reversal Symmetry Breaking in CrSi(Ge)Te_{3}-Based Systems. Physical Review Letters. 117: 257201. PMID 28036224 DOI: 10.1103/Physrevlett.117.257201 |
0.374 |
|
| 2016 |
Monserrat B, Vanderbilt D. Temperature Effects in the Band Structure of Topological Insulators. Physical Review Letters. 117: 226801. PMID 27925756 DOI: 10.1103/Physrevlett.117.226801 |
0.324 |
|
| 2016 |
Yokosuk MO, Al-Wahish A, Artyukhin S, O'Neal KR, Mazumdar D, Chen P, Yang J, Oh YS, McGill SA, Haule K, Cheong SW, Vanderbilt D, Musfeldt JL. Magnetoelectric Coupling through the Spin Flop Transition in Ni_{3}TeO_{6}. Physical Review Letters. 117: 147402. PMID 27740819 DOI: 10.1103/Physrevlett.117.147402 |
0.8 |
|
| 2016 |
Di Sante D, Barone P, Stroppa A, Garrity KF, Vanderbilt D, Picozzi S. Intertwined Rashba, Dirac, and Weyl Fermions in Hexagonal Hyperferroelectrics. Physical Review Letters. 117: 076401. PMID 27563977 DOI: 10.1103/Physrevlett.117.076401 |
0.403 |
|
| 2016 |
Lejaeghere K, Bihlmayer G, Björkman T, Blaha P, Blügel S, Blum V, Caliste D, Castelli IE, Clark SJ, Dal Corso A, de Gironcoli S, Deutsch T, Dewhurst JK, Di Marco I, Draxl C, ... ... Vanderbilt D, et al. Reproducibility in density functional theory calculations of solids. Science (New York, N.Y.). 351: aad3000. PMID 27013736 DOI: 10.1126/Science.Aad3000 |
0.61 |
|
| 2016 |
Gresch D, Soluyanov AA, Autés G, Yazyev O, Bernevig BA, Vanderbilt DH, Troyer M. Topological classification with Z2Pack(Conference Presentation) Proceedings of Spie. 9931. DOI: 10.1117/12.2239102 |
0.677 |
|
| 2016 |
Dreyer CE, Janotti A, Van de Walle CG, Vanderbilt D. Correct implementation of polarization constants in wurtzite materials and impact on III-nitrides Physical Review X. 6. DOI: 10.1103/Physrevx.6.021038 |
0.304 |
|
| 2016 |
Huang H, Liu J, Vanderbilt D, Duan W. Topological nodal-line semimetals in alkaline-earth stannides, germanides, and silicides Physical Review B - Condensed Matter and Materials Physics. 93. DOI: 10.1103/Physrevb.93.201114 |
0.358 |
|
| 2016 |
Ye M, Vanderbilt D. Ferroelectricity in corundum derivatives Physical Review B - Condensed Matter and Materials Physics. 93. DOI: 10.1103/Physrevb.93.134303 |
0.3 |
|
| 2016 |
Brahlek MJ, Koirala N, Liu J, Yusufaly TI, Salehi M, Han MG, Zhu Y, Vanderbilt D, Oh S. Tunable inverse topological heterostructure utilizing (B i1-x i nx)2 S e3 and multichannel weak-antilocalization effect Physical Review B - Condensed Matter and Materials Physics. 93. DOI: 10.1103/Physrevb.93.125416 |
0.309 |
|
| 2016 |
Cherian JG, Birol T, Harms NC, Gao B, Cheong SW, Vanderbilt D, Musfeldt JL. Optical spectroscopy and band gap analysis of hybrid improper ferroelectric Ca3Ti2O7 Applied Physics Letters. 108. DOI: 10.1063/1.4954404 |
0.315 |
|
| 2015 |
Kim JW, Artyukhin S, Mun ED, Jaime M, Harrison N, Hansen A, Yang JJ, Oh YS, Vanderbilt D, Zapf VS, Cheong SW. Successive Magnetic-Field-Induced Transitions and Colossal Magnetoelectric Effect in Ni_{3}TeO_{6}. Physical Review Letters. 115: 137201. PMID 26451580 DOI: 10.1103/Physrevlett.115.137201 |
0.766 |
|
| 2015 |
Li MR, Croft M, Stephens PW, Ye M, Vanderbilt D, Retuerto M, Deng Z, Grams CP, Hemberger J, Hadermann J, Li WM, Jin CQ, Saouma FO, Jang JI, Akamatsu H, et al. Mn2FeWO6 : A new Ni3TeO6-type polar and magnetic oxide. Advanced Materials (Deerfield Beach, Fla.). 27: 2177-81. PMID 25677612 DOI: 10.1002/Adma.201405244 |
0.37 |
|
| 2015 |
Liu J, Vanderbilt D. Gauge-discontinuity contributions to Chern-Simons orbital magnetoelectric coupling Physical Review B - Condensed Matter and Materials Physics. 92. DOI: 10.1103/Physrevb.92.245138 |
0.3 |
|
| 2015 |
Huang H, Liu Z, Zhang H, Duan W, Vanderbilt D. Emergence of a Chern-insulating state from a semi-Dirac dispersion Physical Review B - Condensed Matter and Materials Physics. 92. DOI: 10.1103/Physrevb.92.161115 |
0.383 |
|
| 2015 |
Yokosuk MO, Artyukhin S, Al-Wahish A, Wang X, Yang J, Li Z, Cheong SW, Vanderbilt D, Musfeldt JL. Tracking the continuous spin-flop transition in Ni3TeO6 by infrared spectroscopy Physical Review B - Condensed Matter and Materials Physics. 92. DOI: 10.1103/Physrevb.92.144305 |
0.725 |
|
| 2015 |
Gosálbez-Martínez D, Souza I, Vanderbilt D. Chiral degeneracies and Fermi-surface Chern numbers in bcc Fe Physical Review B - Condensed Matter and Materials Physics. 92. DOI: 10.1103/Physrevb.92.085138 |
0.332 |
|
| 2015 |
Zhou Y, Rabe KM, Vanderbilt D. Surface polarization and edge charges Physical Review B - Condensed Matter and Materials Physics. 92. DOI: 10.1103/Physrevb.92.041102 |
0.562 |
|
| 2015 |
Ye M, Vanderbilt D. Magnetic charges and magnetoelectricity in hexagonal rare-earth manganites and ferrites Physical Review B - Condensed Matter and Materials Physics. 92. DOI: 10.1103/Physrevb.92.035107 |
0.368 |
|
| 2014 |
Garrity KF, Rabe KM, Vanderbilt D. Hyperferroelectrics: proper ferroelectrics with persistent polarization. Physical Review Letters. 112: 127601. PMID 24724680 DOI: 10.1103/Physrevlett.112.127601 |
0.573 |
|
| 2014 |
Oh YS, Artyukhin S, Yang JJ, Zapf V, Kim JW, Vanderbilt D, Cheong SW. Non-hysteretic colossal magnetoelectricity in a collinear antiferromagnet. Nature Communications. 5: 3201. PMID 24469350 DOI: 10.1038/Ncomms4201 |
0.745 |
|
| 2014 |
Pascut GL, Haule K, Gutmann MJ, Barnett SA, Bombardi A, Artyukhin S, Birol T, Vanderbilt D, Yang JJ, Cheong SW, Kiryukhin V. Dimerization-induced cross-layer quasi-two-dimensionality in metallic IrTe 2 Physical Review Letters. 112. DOI: 10.1103/Physrevlett.112.086402 |
0.786 |
|
| 2014 |
Coh S, Vanderbilt D. Reply to "comment on 'Canonical magnetic insulators with isotropic magnetoelectric coupling'" Physical Review B - Condensed Matter and Materials Physics. 90. DOI: 10.1103/Physrevb.90.167102 |
0.681 |
|
| 2014 |
Zhang H, Huang H, Haule K, Vanderbilt D. Quantum anomalous Hall phase in (001) double-perovskite monolayers via intersite spin-orbit coupling Physical Review B - Condensed Matter and Materials Physics. 90. DOI: 10.1103/Physrevb.90.165143 |
0.621 |
|
| 2014 |
Coh S, Vanderbilt D. Erratum: Canonical magnetic insulators with isotropic magnetoelectric coupling [Phys. Rev. B88, 121106(R) (2013)] Physical Review B. 90. DOI: 10.1103/Physrevb.90.159903 |
0.664 |
|
| 2014 |
Liu J, Vanderbilt D. Weyl semimetals from noncentrosymmetric topological insulators Physical Review B - Condensed Matter and Materials Physics. 90. DOI: 10.1103/Physrevb.90.155316 |
0.359 |
|
| 2014 |
Liu J, Vanderbilt D. Spin-orbit spillage as a measure of band inversion in insulators Physical Review B - Condensed Matter and Materials Physics. 90. DOI: 10.1103/Physrevb.90.125133 |
0.351 |
|
| 2014 |
Garrity KF, Vanderbilt D. Chern insulator at a magnetic rocksalt interface Physical Review B - Condensed Matter and Materials Physics. 90. DOI: 10.1103/Physrevb.90.121103 |
0.359 |
|
| 2014 |
Vanderbilt D, Souza I, Haldane FDM. Comment on "weyl fermions and the anomalous Hall effect in metallic ferromagnets", Physical Review B - Condensed Matter and Materials Physics. 89. DOI: 10.1103/Physrevb.89.117101 |
0.315 |
|
| 2014 |
Taherinejad M, Garrity KF, Vanderbilt D. Wannier center sheets in topological insulators Physical Review B - Condensed Matter and Materials Physics. 89. DOI: 10.1103/Physrevb.89.115102 |
0.382 |
|
| 2014 |
Ye M, Vanderbilt D. Dynamical magnetic charges and linear magnetoelectricity Physical Review B - Condensed Matter and Materials Physics. 89. DOI: 10.1103/Physrevb.89.064301 |
0.391 |
|
| 2014 |
Mostofi AA, Yates JR, Pizzi G, Lee YS, Souza I, Vanderbilt D, Marzari N. An updated version of wannier90: A tool for obtaining maximally-localised Wannier functions Computer Physics Communications. DOI: 10.1016/J.Cpc.2014.05.003 |
0.584 |
|
| 2014 |
Garrity KF, Bennett JW, Rabe KM, Vanderbilt D. Pseudopotentials for high-throughput DFT calculations Computational Materials Science. 81: 446-452. DOI: 10.1016/J.Commatsci.2013.08.053 |
0.558 |
|
| 2013 |
Garrity KF, Vanderbilt D. Chern insulators from heavy atoms on magnetic substrates. Physical Review Letters. 110: 116802. PMID 25166562 DOI: 10.1103/Physrevlett.110.116802 |
0.347 |
|
| 2013 |
Zhang H, Haule K, Vanderbilt D. Effective J=1/2 insulating state in Ruddlesden-Popper iridates: an LDA+DMFT study. Physical Review Letters. 111: 246402. PMID 24483681 DOI: 10.1103/Physrevlett.111.246402 |
0.663 |
|
| 2013 |
Bennett JW, Garrity KF, Rabe KM, Vanderbilt D. Orthorhombic ABC semiconductors as antiferroelectrics. Physical Review Letters. 110: 017603. PMID 23383838 DOI: 10.1103/Physrevlett.110.017603 |
0.556 |
|
| 2013 |
Bennett JW, Garrity KF, Rabe KM, Vanderbilt D. Orthorhombic ABC semiconductors as antiferroelectrics Physical Review Letters. 110. DOI: 10.1103/PhysRevLett.110.017603 |
0.477 |
|
| 2013 |
Hong J, Vanderbilt D. First-principles theory and calculation of flexoelectricity Physical Review B - Condensed Matter and Materials Physics. 88. DOI: 10.1103/Physrevb.88.174107 |
0.364 |
|
| 2013 |
Coh S, Vanderbilt D. Canonical magnetic insulators with isotropic magnetoelectric coupling Physical Review B - Condensed Matter and Materials Physics. 88. DOI: 10.1103/Physrevb.88.121106 |
0.704 |
|
| 2013 |
Malashevich A, Coh S, Souza I, Vanderbilt D. Publisher’s Note: Full magnetoelectric response of Cr2O3from first principles [Phys. Rev. B86, 094430 (2012)] Physical Review B. 87. DOI: 10.1103/Physrevb.87.139904 |
0.755 |
|
| 2013 |
Hong J, Vanderbilt D. Electrically driven octahedral rotations in SrTiO3 and PbTiO3 Physical Review B - Condensed Matter and Materials Physics. 87. DOI: 10.1103/Physrevb.87.064104 |
0.358 |
|
| 2012 |
Bennett JW, Garrity KF, Rabe KM, Vanderbilt D. Hexagonal ABC semiconductors as ferroelectrics. Physical Review Letters. 109: 167602. PMID 23215130 DOI: 10.1103/Physrevlett.109.167602 |
0.565 |
|
| 2012 |
Roy A, Bennett JW, Rabe KM, Vanderbilt D. Half-Heusler semiconductors as piezoelectrics. Physical Review Letters. 109: 037602. PMID 22861897 DOI: 10.1103/Physrevlett.109.037602 |
0.548 |
|
| 2012 |
Marzari N, Mostofi AA, Yates JR, Souza I, Vanderbilt D. Maximally localized Wannier functions: Theory and applications Reviews of Modern Physics. 84: 1419-1475. DOI: 10.1103/Revmodphys.84.1419 |
0.589 |
|
| 2012 |
Bennett JW, Garrity KF, Rabe KM, Vanderbilt D. Hexagonal ABC semiconductors as ferroelectrics Physical Review Letters. 109. DOI: 10.1103/PhysRevLett.109.167602 |
0.507 |
|
| 2012 |
Roy A, Bennett JW, Rabe KM, Vanderbilt D. Half-heusler semiconductors as piezoelectrics Physical Review Letters. 109. DOI: 10.1103/PhysRevLett.109.037602 |
0.48 |
|
| 2012 |
Taherinejad M, Vanderbilt D, Marton P, Stepkova V, Hlinka J. Bloch-type domain walls in rhombohedral BaTiO 3 Physical Review B - Condensed Matter and Materials Physics. 86. DOI: 10.1103/Physrevb.86.155138 |
0.327 |
|
| 2012 |
Lee K, Kolb B, Thonhauser T, Vanderbilt D, Langreth DC. Structure and energetics of a ferroelectric organic crystal of phenazine and chloranilic acid Physical Review B - Condensed Matter and Materials Physics. 86. DOI: 10.1103/Physrevb.86.104102 |
0.344 |
|
| 2012 |
Malashevich A, Coh S, Souza I, Vanderbilt D. Full magnetoelectric response of Cr 2O 3 from first principles Physical Review B - Condensed Matter and Materials Physics. 86. DOI: 10.1103/Physrevb.86.094430 |
0.795 |
|
| 2012 |
Soluyanov AA, Vanderbilt D. Smooth gauge for topological insulators Physical Review B - Condensed Matter and Materials Physics. 85. DOI: 10.1103/Physrevb.85.115415 |
0.675 |
|
| 2012 |
Hong J, Stroppa A, Añiguez J, Picozzi S, Vanderbilt D. Spin-phonon coupling effects in transition-metal perovskites: A DFT+U and hybrid-functional study Physical Review B - Condensed Matter and Materials Physics. 85. DOI: 10.1103/Physrevb.85.054417 |
0.37 |
|
| 2012 |
Lopez MG, Vanderbilt D, Thonhauser T, Souza I. Wannier-based calculation of the orbital magnetization in crystals Physical Review B - Condensed Matter and Materials Physics. 85. DOI: 10.1103/Physrevb.85.014435 |
0.382 |
|
| 2011 |
Blok JL, Blank DHA, Rijnders G, Rabe KM, Vanderbilt D. Interplay of epitaxial strain and rotations in PbTiO 3/PbZrO 3 superlattices from first principles Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/Physrevb.84.205413 |
0.582 |
|
| 2011 |
Hong J, Vanderbilt D. First-principles theory of frozen-ion flexoelectricity Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/Physrevb.84.180101 |
0.33 |
|
| 2011 |
Hong J, Vanderbilt D. Mapping the energy surface of PbTiO3 in multidimensional electric-displacement space Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/Physrevb.84.115107 |
0.349 |
|
| 2011 |
Soluyanov AA, Vanderbilt D. Computing topological invariants without inversion symmetry Physical Review B - Condensed Matter and Materials Physics. 83. DOI: 10.1103/Physrevb.83.235401 |
0.685 |
|
| 2011 |
Roy A, Vanderbilt D. Theory of prospective perovskite ferroelectrics with double rocksalt order Physical Review B - Condensed Matter and Materials Physics. 83. DOI: 10.1103/Physrevb.83.134116 |
0.409 |
|
| 2011 |
Malashevich A, Vanderbilt D, Souza I. Orbital magnetoelectric coupling at finite electric field Physical Review B - Condensed Matter and Materials Physics. 83. DOI: 10.1103/Physrevb.83.092407 |
0.749 |
|
| 2011 |
Coh S, Vanderbilt D, Malashevich A, Souza I. Chern-Simons orbital magnetoelectric coupling in generic insulators Physical Review B - Condensed Matter and Materials Physics. 83. DOI: 10.1103/Physrevb.83.085108 |
0.792 |
|
| 2011 |
Soluyanov AA, Vanderbilt D. Wannier representation of Z2 topological insulators Physical Review B - Condensed Matter and Materials Physics. 83. DOI: 10.1103/Physrevb.83.035108 |
0.678 |
|
| 2011 |
Wu X, Rabe KM, Vanderbilt D. Interfacial enhancement of ferroelectricity in CaTiO3/BaTiO 3 superlattices Physical Review B - Condensed Matter and Materials Physics. 83. DOI: 10.1103/Physrevb.83.020104 |
0.682 |
|
| 2010 |
Coh S, Heeg T, Haeni JH, Biegalski MD, Lettieri J, Edge LF, O'Brien KE, Bernhagen M, Reiche P, Uecker R, Trolier-Mckinstry S, Schlom DG, Vanderbilt D. Si-compatible candidates for high-κ dielectrics with the Pbnm perovskite structure Physical Review B - Condensed Matter and Materials Physics. 82. DOI: 10.1103/Physrevb.82.064101 |
0.685 |
|
| 2010 |
Essin AM, Turner AM, Moore JE, Vanderbilt D. Orbital magnetoelectric coupling in band insulators Physical Review B - Condensed Matter and Materials Physics. 81. DOI: 10.1103/Physrevb.81.205104 |
0.405 |
|
| 2010 |
Roy A, Stengel M, Vanderbilt D. First-principles study of high-field piezoelectricity in tetragonal PbTiO3 Physical Review B - Condensed Matter and Materials Physics. 81. DOI: 10.1103/Physrevb.81.014102 |
0.345 |
|
| 2010 |
Malashevich A, Souza I, Coh S, Vanderbilt D. Theory of orbital magnetoelectric response New Journal of Physics. 12. DOI: 10.1088/1367-2630/12/5/053032 |
0.795 |
|
| 2009 |
Cao K, Guo GC, Vanderbilt D, He L. First-principles modeling of multiferroic RMn2O5. Physical Review Letters. 103: 257201. PMID 20366278 DOI: 10.1103/Physrevlett.103.257201 |
0.556 |
|
| 2009 |
Essin AM, Moore JE, Vanderbilt D. Magnetoelectric polarizability and axion electrodynamics in crystalline insulators. Physical Review Letters. 102: 146805. PMID 19392469 DOI: 10.1103/Physrevlett.102.146805 |
0.374 |
|
| 2009 |
Coh S, Vanderbilt D. Electric polarization in a Chern insulator. Physical Review Letters. 102: 107603. PMID 19392162 DOI: 10.1103/Physrevlett.102.107603 |
0.704 |
|
| 2009 |
Malashevich A, Vanderbilt D. First-principles theory of magnetically induced ferroelectricity in TbMnO 3 European Physical Journal B. 71: 345-348. DOI: 10.1140/Epjb/E2009-00208-2 |
0.753 |
|
| 2009 |
Essin AM, Moore JE, Vanderbilt D. Erratum: Magnetoelectric Polarizability and Axion Electrodynamics in Crystalline Insulators [Phys. Rev. Lett.102, 146805 (2009)] Physical Review Letters. 103. DOI: 10.1103/Physrevlett.103.259902 |
0.35 |
|
| 2009 |
Stengel M, Vanderbilt D. Berry-phase theory of polar discontinuities at oxide-oxide interfaces Physical Review B - Condensed Matter and Materials Physics. 80. DOI: 10.1103/Physrevb.80.241103 |
0.336 |
|
| 2009 |
Malashevich A, Vanderbilt D. Dependence of electronic polarization on octahedral rotations in TbMnO 3 from first principles Physical Review B - Condensed Matter and Materials Physics. 80. DOI: 10.1103/Physrevb.80.224407 |
0.763 |
|
| 2009 |
Stengel M, Vanderbilt D, Spaldin NA. First-principles modeling of ferroelectric capacitors via constrained displacement field calculations Physical Review B - Condensed Matter and Materials Physics. 80. DOI: 10.1103/Physrevb.80.224110 |
0.359 |
|
| 2009 |
Beckman SP, Wang X, Rabe KM, Vanderbilt D. Ideal barriers to polarization reversal and domain-wall motion in strained ferroelectric thin films Physical Review B - Condensed Matter and Materials Physics. 79. DOI: 10.1103/Physrevb.79.144124 |
0.666 |
|
| 2009 |
Murray ED, Vanderbilt D. Theoretical investigation of polarization-compensated II-IV/I-V perovskite superlattices Physical Review B - Condensed Matter and Materials Physics. 79. DOI: 10.1103/Physrevb.79.100102 |
0.327 |
|
| 2009 |
Hamann DR, Vanderbilt D. Maximally localized Wannier functions for GW quasiparticles Physical Review B - Condensed Matter and Materials Physics. 79. DOI: 10.1103/Physrevb.79.045109 |
0.345 |
|
| 2009 |
Thonhauser T, Ceresoli D, Mostofi AA, Marzari N, Resta R, Vanderbilt D. A converse approach to the calculation of NMR shielding tensors Journal of Chemical Physics. 131. DOI: 10.1063/1.3216028 |
0.557 |
|
| 2009 |
Stengel M, Spaldin NA, Vanderbilt D. Electric displacement as the fundamental variable in electronic-structure calculations Nature Physics. 5: 304-308. DOI: 10.1038/Nphys1185 |
0.346 |
|
| 2008 |
Wu X, Stengel M, Rabe KM, Vanderbilt D. Predicting polarization and nonlinear dielectric response of arbitrary perovskite superlattice sequences. Physical Review Letters. 101: 087601. PMID 18764661 DOI: 10.1103/Physrevlett.101.087601 |
0.668 |
|
| 2008 |
Malashevich A, Vanderbilt D. First principles study of improper ferroelectricity in TbMnO3. Physical Review Letters. 101: 037210. PMID 18764292 DOI: 10.1103/Physrevlett.101.037210 |
0.762 |
|
| 2008 |
Coh S, Vanderbilt D. Structural stability and lattice dynamics of SiO2 cristobalite Physical Review B - Condensed Matter and Materials Physics. 78. DOI: 10.1103/Physrevb.78.054117 |
0.688 |
|
| 2008 |
Souza I, Vanderbilt D. Dichroic f -sum rule and the orbital magnetization of crystals Physical Review B - Condensed Matter and Materials Physics. 77. DOI: 10.1103/Physrevb.77.054438 |
0.347 |
|
| 2008 |
Mostofi AA, Yates JR, Lee YS, Souza I, Vanderbilt D, Marzari N. wannier90: A tool for obtaining maximally-localised Wannier functions Computer Physics Communications. 178: 685-699. DOI: 10.1016/J.Cpc.2007.11.016 |
0.58 |
|
| 2007 |
Lee HN, Nakhmanson SM, Chisholm MF, Christen HM, Rabe KM, Vanderbilt D. Suppressed dependence of polarization on epitaxial strain in highly polar ferroelectrics. Physical Review Letters. 98: 217602. PMID 17677807 DOI: 10.1103/Physrevlett.98.217602 |
0.554 |
|
| 2007 |
Lee HN, Nakhmanson SM, Chisholm MF, Christen HM, Rabe KM, Vanderbilt D. Publisher’s Note: Suppressed Dependence of Polarization on Epitaxial Strain in Highly Polar Ferroelectrics [Phys. Rev. Lett.98, 217602 (2007)] Physical Review Letters. 98. DOI: 10.1103/Physrevlett.98.229901 |
0.542 |
|
| 2007 |
Wang X, Vanderbilt D, Yates JR, Souza I. Fermi-surface calculation of the anomalous Hall conductivity Physical Review B - Condensed Matter and Materials Physics. 76. DOI: 10.1103/Physrevb.76.195109 |
0.575 |
|
| 2007 |
Wang X, Yates JR, Souza I, Vanderbilt D. Erratum:Ab initiocalculation of the anomalous Hall conductivity by Wannier interpolation [Phys. Rev. B74, 195118 (2006)] Physical Review B. 76. DOI: 10.1103/Physrevb.76.169902 |
0.487 |
|
| 2007 |
Diéguez O, Vanderbilt D. Theoretical study of ferroelectric potassium nitrate Physical Review B - Condensed Matter and Materials Physics. 76. DOI: 10.1103/Physrevb.76.134101 |
0.363 |
|
| 2007 |
Yates JR, Wang X, Vanderbilt D, Souza I. Spectral and Fermi surface properties from Wannier interpolation Physical Review B - Condensed Matter and Materials Physics. 75. DOI: 10.1103/Physrevb.75.195121 |
0.532 |
|
| 2007 |
Wang X, Vanderbilt D. First-principles perturbative computation of dielectric and Born charge tensors in finite electric fields Physical Review B - Condensed Matter and Materials Physics. 75. DOI: 10.1103/Physrevb.75.115116 |
0.557 |
|
| 2007 |
Malashevich A, Vanderbilt D. First-principles study of polarization in Zn1-x Mgx O Physical Review B - Condensed Matter and Materials Physics. 75. DOI: 10.1103/Physrevb.75.045106 |
0.752 |
|
| 2006 |
Wu X, Diéguez O, Rabe KM, Vanderbilt D. Wannier-based definition of layer polarizations in perovskite superlattices. Physical Review Letters. 97: 107602. PMID 17025854 DOI: 10.1103/Physrevlett.97.107602 |
0.662 |
|
| 2006 |
Bester G, Wu X, Vanderbilt D, Zunger A. Importance of second-order piezoelectric effects in zinc-blende semiconductors. Physical Review Letters. 96: 187602. PMID 16712396 DOI: 10.1103/Physrevlett.96.187602 |
0.563 |
|
| 2006 |
Diéguez O, Vanderbilt D. First-principles calculations for insulators at constant polarization. Physical Review Letters. 96: 056401. PMID 16486961 DOI: 10.1103/Physrevlett.96.056401 |
0.366 |
|
| 2006 |
Roman E, Yates JR, Veithen M, Vanderbilt D, Souza I. Ab initio study of the nonlinear optics of III-V semiconductors in the terahertz regime Physical Review B - Condensed Matter and Materials Physics. 74. DOI: 10.1103/Physrevb.74.245204 |
0.315 |
|
| 2006 |
Thonhauser T, Vanderbilt D. Insulator/Chern-insulator transition in the Haldane model Physical Review B - Condensed Matter and Materials Physics. 74. DOI: 10.1103/Physrevb.74.235111 |
0.328 |
|
| 2006 |
Wang X, Yates JR, Souza I, Vanderbilt D. Ab initio calculation of the anomalous Hall conductivity by Wannier interpolation Physical Review B - Condensed Matter and Materials Physics. 74. DOI: 10.1103/Physrevb.74.195118 |
0.569 |
|
| 2006 |
Bester G, Zunger A, Wu X, Vanderbilt D. Effects of linear and nonlinear piezoelectricity on the electronic properties of InAsGaAs quantum dots Physical Review B - Condensed Matter and Materials Physics. 74. DOI: 10.1103/Physrevb.74.081305 |
0.539 |
|
| 2006 |
Wang X, Vanderbilt D. First-principles perturbative computation of phonon properties of insulators in finite electric fields Physical Review B - Condensed Matter and Materials Physics. 74. DOI: 10.1103/Physrevb.74.054304 |
0.571 |
|
| 2006 |
Ceresoli D, Thonhauser T, Vanderbilt D, Resta R. Orbital magnetization in crystalline solids: Multi-band insulators, Chern insulators, and metals Physical Review B - Condensed Matter and Materials Physics. 74. DOI: 10.1103/Physrevb.74.024408 |
0.358 |
|
| 2006 |
Nakhmanson SM, Rabe KM, Vanderbilt D. Predicting polarization enhancement in multicomponent ferroelectric superlattices Physical Review B - Condensed Matter and Materials Physics. 73. DOI: 10.1103/Physrevb.73.060101 |
0.549 |
|
| 2006 |
Wu X, Vanderbilt D. Theory of hypothetical ferroelectric superlattices incorporating head-to-head and tail-to-tail 180° domain walls Physical Review B - Condensed Matter and Materials Physics. 73. DOI: 10.1103/Physrevb.73.020103 |
0.53 |
|
| 2005 |
Thonhauser T, Ceresoli D, Vanderbilt D, Resta R. Orbital magnetization in periodic insulators. Physical Review Letters. 95: 137205. PMID 16197172 DOI: 10.1103/Physrevlett.95.137205 |
0.333 |
|
| 2005 |
Resta R, Ceresoli D, Thonhauser T, Vanderbilt D. Orbital magnetization in extended systems. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 6: 1815-9. PMID 16086345 DOI: 10.1002/Cphc.200400641 |
0.384 |
|
| 2005 |
Diéguez O, Rabe KM, Vanderbilt D. First-principles study of epitaxial strain in perovskites Physical Review B - Condensed Matter and Materials Physics. 72. DOI: 10.1103/Physrevb.72.144101 |
0.567 |
|
| 2005 |
Hamann DR, Wu X, Rabe KM, Vanderbilt D. Erratum: Metric tensor formulation of strain in density-functional perturbation theory [Phys. Rev. B 71, 035117 (2005)] Physical Review B. 72. DOI: 10.1103/Physrevb.72.079901 |
0.653 |
|
| 2005 |
Wu X, Vanderbilt D, Hamann DR. Systematic treatment of displacements, strains, and electric fields in density-functional perturbation theory Physical Review B - Condensed Matter and Materials Physics. 72. DOI: 10.1103/Physrevb.72.035105 |
0.598 |
|
| 2005 |
Hamann DR, Rabe KM, Vanderbilt D. Generalized-gradient-functional treatment of strain in density-functional perturbation theory Physical Review B - Condensed Matter and Materials Physics. 72. DOI: 10.1103/Physrevb.72.033102 |
0.577 |
|
| 2005 |
Zhao X, Ceresoli D, Vanderbilt D. Structural, electronic, and dielectric properties of amorphous ZrO 2 from ab initio molecular dynamics Physical Review B - Condensed Matter and Materials Physics. 71. DOI: 10.1103/Physrevb.71.085107 |
0.539 |
|
| 2005 |
Hamann DR, Wu X, Rabe KM, Vanderbilt D. Metric tensor formulation of strain in density-functional perturbation theory Physical Review B - Condensed Matter and Materials Physics. 71. DOI: 10.1103/Physrevb.71.035117 |
0.673 |
|
| 2005 |
Antons A, Neaton JB, Rabe KM, Vanderbilt D. Tunability of the dielectric response of epitaxially strained SrTiO 3 from first principles Physical Review B - Condensed Matter and Materials Physics. 71. DOI: 10.1103/Physrevb.71.024102 |
0.599 |
|
| 2005 |
Nakhmanson SM, Rabe KM, Vanderbilt D. Polarization enhancement in two- and three-component ferroelectric superlattices Applied Physics Letters. 87. DOI: 10.1063/1.2042630 |
0.551 |
|
| 2005 |
Sayan S, Nguyen NV, Ehrstein J, Emge T, Garfunkel E, Croft M, Zhao X, Vanderbilt D, Levin I, Gusev EP, Kim H, McIntyre PJ. Structural, electronic, and dielectric properties of ultrathin zirconia films on silicon Applied Physics Letters. 86: 1-3. DOI: 10.1063/1.1864235 |
0.52 |
|
| 2005 |
Vanderbilt D, Zhao X, Ceresoli D. Structural and dielectric properties of crystalline and amorphous ZrO 2 Thin Solid Films. 486: 125-128. DOI: 10.1016/J.Tsf.2004.11.232 |
0.531 |
|
| 2004 |
Diéguez O, Tinte S, Antons A, Bungaro C, Neaton JB, Rabe KM, Vanderbilt D. Publisher's Note:Ab initiostudy of the phase diagram of epitaxialBaTiO3[Phys. Rev. B69, 212101 (2004)] Physical Review B. 70. DOI: 10.1103/Physrevb.70.069903 |
0.53 |
|
| 2004 |
Akbarzadeh AR, Bellaiche L, Leung K, Íñiguez J, Vanderbilt D. Atomistic simulations of the incipient ferroelectric KTaO3 Physical Review B - Condensed Matter and Materials Physics. 70. DOI: 10.1103/Physrevb.70.054103 |
0.319 |
|
| 2004 |
Diéguez O, Tinte S, Antons A, Bungaro C, Neaton JB, Rabe KM, Vanderbilt D. Ab initio study of the phase diagram of epitaxial BaTiO3 Physical Review B - Condensed Matter and Materials Physics. 69: 212101-1-212101-4. DOI: 10.1103/Physrevb.69.212101 |
0.556 |
|
| 2004 |
Souza I, Íñiguez J, Vanderbilt D. Dynamics of Berry-phase polarization in time-dependent electric fields Physical Review B - Condensed Matter and Materials Physics. 69: 851061-8510616. DOI: 10.1103/Physrevb.69.085106 |
0.348 |
|
| 2004 |
Vanderbilt D. First-principles theory of polarization and electric fields in ferroelectrics Ferroelectrics. 301: 9-14. DOI: 10.1080/00150190490454855 |
0.352 |
|
| 2004 |
Sayan S, Emge T, Garfunkel E, Zhao X, Wielunski L, Bartynski RA, Vanderbilt D, Suehle JS, Suzer S, Banaszak-Holl M. Band alignment issues related to HfO 2/SiO 2/p-Si gate stacks Journal of Applied Physics. 96: 7485-7491. DOI: 10.1063/1.1803107 |
0.516 |
|
| 2004 |
Sayan S, Bartynski RA, Zhao X, Gusev EP, Vanderbilt D, Croft M, Holl MB, Garfunkel E. Valence and conduction band offsets of a ZrO2/SiO xNy/n-Si CMOS gate stack: A combined photoemission and inverse photoemission study Physica Status Solidi (B) Basic Research. 241: 2246-2252. DOI: 10.1002/Pssb.200404945 |
0.496 |
|
| 2003 |
Zhao X, Vanderbilt D. First-principles study of electronic and dielectric properties of ZrO 2 and HfO2 Materials Research Society Symposium - Proceedings. 747: 93-98. DOI: 10.1557/Proc-745-N7.2/T5.2 |
0.554 |
|
| 2003 |
Sayan S, Goncharova L, Starodub D, Bartynski RA, Zhao X, Vanderbilt D, Gustafsson T, Garfunkel E. Interface composition and band alignment issues in high-K gate stacks 2003 International Semiconductor Device Research Symposium, Isdrs 2003 - Proceedings. 26. DOI: 10.1109/ISDRS.2003.1271978 |
0.467 |
|
| 2003 |
Tinte S, Rabe KM, Vanderbilt D. Anomalous enhancement of tetragonality in PbTiO3 induced by negative pressure Physical Review B - Condensed Matter and Materials Physics. 68: 1441051-1441059. DOI: 10.1103/Physrevb.68.144105 |
0.559 |
|
| 2003 |
He L, Vanderbilt D. First-principles study of oxygen-vacancy pinning of domain walls in PbTiO3 Physical Review B - Condensed Matter and Materials Physics. 68: 1341031-1341037. DOI: 10.1103/Physrevb.68.134103 |
0.518 |
|
| 2003 |
Íñiguez J, Vanderbilt D, Bellaiche L. First-principles study of(BiScO3)1−x−(PbTiO3)xpiezoelectric alloys Physical Review B. 67. DOI: 10.1103/Physrevb.67.224107 |
0.303 |
|
| 2003 |
Tinte S, Íñiguez J, Rabe KM, Vanderbilt D. Quantitative analysis of the first-principles effective Hamiltonian approach to ferroelectric perovskites Physical Review B - Condensed Matter and Materials Physics. 67: 641061-641068. DOI: 10.1103/Physrevb.67.064106 |
0.57 |
|
| 2003 |
He L, Neaton JB, Vanderbilt D, Cohen MH. Lattice dielectric response of CdCu3Ti4O12 and CaCu3Ti4O12 from first principles Physical Review B - Condensed Matter and Materials Physics. 67: 121031-121034. DOI: 10.1103/Physrevb.67.012103 |
0.556 |
|
| 2003 |
Cohen MH, Neaton JB, He L, Vanderbilt D. Extrinsic models for the dielectric response of CaCu3Ti 4O12 Journal of Applied Physics. 94: 3299-3306. DOI: 10.1063/1.1595708 |
0.495 |
|
| 2002 |
Souza I, Iñiguez J, Vanderbilt D. First-principles approach to insulators in finite electric fields. Physical Review Letters. 89: 117602. PMID 12225169 DOI: 10.1103/Physrevlett.89.117602 |
0.322 |
|
| 2002 |
Iñiguez J, Vanderbilt D. First-principles study of the temperature-pressure phase diagram of BaTiO3. Physical Review Letters. 89: 115503. PMID 12225149 DOI: 10.1103/Physrevlett.89.115503 |
0.304 |
|
| 2002 |
Sai N, Rabe KM, Vanderbilt D. Theory of structural response to macroscopic electric fields in ferroelectric systems Physical Review B - Condensed Matter and Materials Physics. 66: 1041081-10410817. DOI: 10.1103/Physrevb.66.104108 |
0.727 |
|
| 2002 |
Zhao X, Vanderbilt D. First-principles study of structural, vibrational, and lattice dielectric properties of hafnium oxide Physical Review B - Condensed Matter and Materials Physics. 65: 2331061-2331064. DOI: 10.1103/Physrevb.65.233106 |
0.565 |
|
| 2002 |
He L, Neaton JB, Cohen MH, Vanderbilt D, Homes CC. First-principles study of the structure and lattice dielectric response of CaCu3Ti4O12 Physical Review B - Condensed Matter and Materials Physics. 65: 2141121-21411211. DOI: 10.1103/Physrevb.65.214112 |
0.589 |
|
| 2002 |
Zhao X, Vanderbilt D. Phonons and lattice dielectric properties of zirconia Physical Review B - Condensed Matter and Materials Physics. 65: 0751051-07510510. DOI: 10.1103/Physrevb.65.075105 |
0.557 |
|
| 2002 |
Souza I, Marzari N, Vanderbilt D. Maximally localized Wannier functions for entangled energy bands Physical Review B - Condensed Matter and Materials Physics. 65: 351091-3510913. DOI: 10.1103/Physrevb.65.035109 |
0.527 |
|
| 2002 |
Bellaiche L, García A, Vanderbilt D. Low-Temperature Properties of Pb(Zr 1− x Ti x )O 3 Solid Solutions near the Morphotropic Phase Boundary Ferroelectrics. 266: 41-56. DOI: 10.1080/00150190211456 |
0.32 |
|
| 2001 |
He L, Vanderbilt D. Exponential decay properties of Wannier functions and related quantities. Physical Review Letters. 86: 5341-4. PMID 11384493 DOI: 10.1103/Physrevlett.86.5341 |
0.498 |
|
| 2001 |
Bellaiche L, García A, Vanderbilt D. Electric-field induced polarization paths in Pb(Zr1-xTix)O3 alloys Physical Review B - Condensed Matter and Materials Physics. 64: 601031-601034. DOI: 10.1103/Physrevb.64.060103 |
0.325 |
|
| 2001 |
Meyer B, Vanderbilt D. Ab initio study of BaTiO3 and PbTiO3 surfaces in external electric fields Physical Review B - Condensed Matter and Materials Physics. 63: 2054261-20542610. DOI: 10.1103/Physrevb.63.205426 |
0.326 |
|
| 2001 |
Bernardini F, Fiorentini V, Vanderbilt D. Accurate calculation of polarization-related quantities in semiconductors Physical Review B - Condensed Matter and Materials Physics. 63: 1932011-1932014. DOI: 10.1103/Physrevb.63.193201 |
0.344 |
|
| 2001 |
Vanderbilt D, Cohen MH. Monoclinic and triclinic phases in higher-order Devonshire theory Physical Review B - Condensed Matter and Materials Physics. 63: 941081-941089. DOI: 10.1103/Physrevb.63.094108 |
0.337 |
|
| 2000 |
Pickard CJ, Winkler B, Chen RK, Payne MC, Lee MH, Lin JS, White JA, Milman V, Vanderbilt D. Structural properties of lanthanide and actinide compounds within the plane wave pseudopotential approach Physical Review Letters. 85: 5122-5. PMID 11102201 DOI: 10.1103/Physrevlett.85.5122 |
0.531 |
|
| 2000 |
Nunes RW, Vanderbilt D. Stability of the period-doubled core of the 90 degrees partial in silicon Physical Review Letters. 85: 3540-3540. PMID 11030941 DOI: 10.1103/Physrevlett.85.3540 |
0.302 |
|
| 2000 |
Sai N, Meyer B, Vanderbilt D. Compositional inversion symmetry breaking in ferroelectric perovskites Physical Review Letters. 84: 5636-9. PMID 10991013 DOI: 10.1103/Physrevlett.84.5636 |
0.613 |
|
| 2000 |
Souza I, Martin RM, Marzari N, Zhao X, Vanderbilt D. Wannier-function description of the electronic polarization and infrared absorption of high-pressure hydrogen Physical Review B - Condensed Matter and Materials Physics. 62: 15505-15520. DOI: 10.1103/Physrevb.62.15505 |
0.648 |
|
| 2000 |
Sai N, Vanderbilt D. First-principles study of ferroelectric and antiferrodistortive instabilities in tetragonal SrTiO3 Physical Review B - Condensed Matter and Materials Physics. 62: 13942-13950. DOI: 10.1103/Physrevb.62.13942 |
0.604 |
|
| 2000 |
Bellaiche L, Vanderbilt D. Virtual crystal approximation revisited: Application to dielectric and piezoelectric properties of perovskites Physical Review B - Condensed Matter and Materials Physics. 61: 7877-7882. DOI: 10.1103/Physrevb.61.7877 |
0.338 |
|
| 2000 |
Nunes RW, Vanderbilt D. Models of core reconstruction for the 90° partial dislocation in semiconductors Journal of Physics Condensed Matter. 12: 10021-10027. DOI: 10.1088/0953-8984/12/49/301 |
0.318 |
|
| 2000 |
Hemphill R, Bellaiche L, García A, Vanderbilt D. Finite-temperature properties of disordered and ordered Pb(Sc0.5Nb0.5)O3 alloys Applied Physics Letters. 77: 3642-3644. DOI: 10.1063/1.1328765 |
0.327 |
|
| 2000 |
Vanderbilt D. Berry-phase theory of proper piezoelectric response Journal of Physics and Chemistry of Solids. 61: 147-151. DOI: 10.1016/S0022-3697(99)00273-5 |
0.373 |
|
| 2000 |
Pickard CJ, Winkler B, Chen RK, Payne MC, Lee MH, Lin JS, White JA, Milman V, Vanderbilt D. Structural properties of lanthanide and actiniae compounds within the plane wave pseudopotential approach Physical Review Letters. 85: 5122-5125. |
0.458 |
|
| 1999 |
Marzari N, Vanderbilt D, De Vita A, Payne MC. Thermal contraction and disordering of the Al(110) surface Physical Review Letters. 82: 3296-3299. DOI: 10.1103/Physrevlett.82.3296 |
0.637 |
|
| 1999 |
Bellaiche L, Padilla J, Vanderbilt D. Heterovalent andA-atom effects inA(B′B″)O3perovskite alloys Physical Review B. 59: 1834-1839. DOI: 10.1103/Physrevb.59.1834 |
0.301 |
|
| 1999 |
Ng K, Vanderbilt D. Structure and oxidation kinetics of the Si(100)-SiO2interface Physical Review B. 59: 10132-10137. DOI: 10.1103/Physrevb.59.10132 |
0.305 |
|
| 1998 |
Nunes RW, Bennetto J, Vanderbilt D. Core reconstruction of the90°partial dislocation in nonpolar semiconductors Physical Review B. 58: 12563-12566. DOI: 10.1103/Physrevb.58.12563 |
0.302 |
|
| 1998 |
Nunes RW, Bennetto J, Vanderbilt D. Atomic structure of dislocation kinks in silicon Physical Review B. 57: 10388-10397. DOI: 10.1103/Physrevb.57.10388 |
0.308 |
|
| 1998 |
Vanderbilt D, Zhong W. First-principles theory of structural phase transitions for perovskites: Competing instabilities Ferroelectrics. 206: 181-204. DOI: 10.1080/00150199808009158 |
0.358 |
|
| 1998 |
Garcı́a A, Vanderbilt D. Temperature-dependent dielectric response of BaTiO3 from first principles Arxiv: Materials Science. 436: 53-60. DOI: 10.1063/1.56280 |
0.32 |
|
| 1998 |
Marzari N, Vanderbilt D. Maximally-localized Wannier functions in perovskites: Cubic BaTiO3 Arxiv: Materials Science. 436: 146-155. DOI: 10.1063/1.56269 |
0.578 |
|
| 1998 |
García A, Vanderbilt D. Electromechanical behavior of BaTiO3 from first principles Applied Physics Letters. 72: 2981-2983. DOI: 10.1063/1.121514 |
0.312 |
|
| 1998 |
Padilla J, Vanderbilt D. Ab initio study of SrTiO3 surfaces Surface Science. 418: 64-70. DOI: 10.1016/S0039-6028(98)00670-0 |
0.306 |
|
| 1998 |
Silvestrelli PL, Marzari N, Vanderbilt D, Parrinello M. Maximally-localized wannier functions for disordered systems: Application to amorphous silicon Solid State Communications. 107: 7-11. DOI: 10.1016/S0038-1098(98)00175-6 |
0.51 |
|
| 1997 |
VANDERBILT D. ORDERING AT SURFACES FROM ELASTIC AND ELECTROSTATIC INTERACTIONS Surface Review and Letters. 4: 811-816. DOI: 10.1142/S0218625X9700081X |
0.3 |
|
| 1997 |
Vanderbilt D. Nonlocality of Kohn-Sham Exchange-Correlation Fields in Dielectrics Physical Review Letters. 79: 3966-3969. DOI: 10.1103/Physrevlett.79.3966 |
0.348 |
|
| 1997 |
Bernardini F, Fiorentini V, Vanderbilt D. Polarization-Based Calculation of the Dielectric Tensor of Polar Crystals Physical Review Letters. 79: 3958-3961. DOI: 10.1103/Physrevlett.79.3958 |
0.354 |
|
| 1997 |
Bennetto J, Nunes RW, Vanderbilt D. Period-Doubled Structure for the90°Partial Dislocation in Silicon Physical Review Letters. 79: 245-248. DOI: 10.1103/Physrevlett.79.245 |
0.321 |
|
| 1997 |
Marzari N, Vanderbilt D, Payne MC. Ensemble density-functional theory for Ab initio molecular dynamics of metals and finite-temperature insulators Physical Review Letters. 79: 1337-1340. DOI: 10.1103/Physrevlett.79.1337 |
0.646 |
|
| 1997 |
Bernardini F, Fiorentini V, Vanderbilt D. Spontaneous polarization and piezoelectric constants of III-V nitrides Physical Review B. 56: R10024-R10027. DOI: 10.1103/Physrevb.56.R10024 |
0.341 |
|
| 1997 |
Marzari N, Vanderbilt D. Maximally localized generalized Wannier functions for composite energy bands Physical Review B - Condensed Matter and Materials Physics. 56: 12847-12865. DOI: 10.1103/Physrevb.56.12847 |
0.547 |
|
| 1997 |
Ng K, Vanderbilt D. Structure and apparent topography ofTiO2(110)surfaces Physical Review B. 56: 10544-10548. DOI: 10.1103/Physrevb.56.10544 |
0.323 |
|
| 1997 |
García A, Vanderbilt D. Linear phonon-strain coupling in structural phase transitions: Stability of tetragonal PbTiO3 Ferroelectrics. 194: 29-38. DOI: 10.1080/00150199708016080 |
0.348 |
|
| 1997 |
Vanderbilt D. First-principles based modelling of ferroelectrics Current Opinion in Solid State and Materials Science. 2: 701-705. DOI: 10.1016/S1359-0286(97)80013-7 |
0.347 |
|
| 1996 |
Nunes RW, Bennetto J, Vanderbilt D. Structure, Barriers, and Relaxation Mechanisms of Kinks in the 90° Partial Dislocation in Silicon Physical Review Letters. 77: 1516-1519. PMID 10063098 DOI: 10.1103/Physrevlett.77.1516 |
0.309 |
|
| 1996 |
García A, Vanderbilt D. First-principles study of stability and vibrational properties of tetragonal PbTiO3. Physical Review B. 54: 3817-3824. PMID 9986280 DOI: 10.1103/Physrevb.54.3817 |
0.344 |
|
| 1996 |
Zhong W, Vanderbilt D. Effect of quantum fluctuations on structural phase transitions in SrTiO3 and BaTiO3. Physical Review B. 53: 5047-5050. PMID 9984086 DOI: 10.1103/Physrevb.53.5047 |
0.314 |
|
| 1996 |
Bennetto J, Vanderbilt D. Semiconductor effective charges from tight-binding theory. Physical Review B. 53: 15417-15420. PMID 9983360 DOI: 10.1103/Physrevb.53.15417 |
0.3 |
|
| 1996 |
Bernardini F, Fiorentini V, Vanderbilt D. Offsets and Polarization at Strained AlN/GaN Polar Interfaces Mrs Proceedings. 449. DOI: 10.1557/Proc-449-923 |
0.342 |
|
| 1995 |
Ng K, Vanderbilt D. Stability of periodic domain structures in a two-dimensional dipolar model Physical Review B. 52: 2177-2183. PMID 9981294 DOI: 10.1103/Physrevb.52.2177 |
0.326 |
|
| 1995 |
Filippetti A, Vanderbilt D, Zhong W, Cai Y, Bachelet GB. Chemical hardness, linear response, and pseudopotential transferability Physical Review B. 52: 11793-11804. PMID 9980313 DOI: 10.1103/Physrevb.52.11793 |
0.302 |
|
| 1995 |
Satta A, Fiorentini V, Bosin A, Meloni F, Vanderbilt D. Structural and Electronic Properties of AlN, GaN And InN, and Band Offsets at AlN/GaN (1010) and (0001) Interfaces Mrs Proceedings. 395. DOI: 10.1557/Proc-395-515 |
0.381 |
|
| 1995 |
Zhong W, Vanderbilt D. Competing structural instabilities in cubic perovskites Physical Review Letters. 74: 2587-2590. DOI: 10.1103/Physrevlett.74.2587 |
0.321 |
|
| 1995 |
Zhong W, Vanderbilt D, Rabe KM. First-principles theory of ferroelectric phase transitions for perovskites: The case of BaTiO3 Physical Review B. 52: 6301-6312. DOI: 10.1103/Physrevb.52.6301 |
0.594 |
|
| 1995 |
Zhong W, Vanderbilt D, King-Smith RD, Rabe K. Coulomb interaction and ferroelectric phase transitions in perovskite compounds Ferroelectrics. 164: 291-301. DOI: 10.1080/00150199508221851 |
0.591 |
|
| 1994 |
Nunes RW, Vanderbilt D. Real-space approach to calculation of electric polarization and dielectric constants. Physical Review Letters. 73: 712-715. PMID 10057518 DOI: 10.1103/Physrevlett.73.712 |
0.376 |
|
| 1994 |
Zhong W, King-Smith RD, Vanderbilt D. Giant LO-TO splittings in perovskite ferroelectrics Physical Review Letters. 72: 3618-3621. PMID 10056245 DOI: 10.1103/Physrevlett.72.3618 |
0.312 |
|
| 1994 |
King-Smith RD, Vanderbilt D. First-principles investigation of ferroelectricity in perovskite compounds. Physical Review B. 49: 5828-5844. PMID 10011559 DOI: 10.1103/Physrevb.49.5828 |
0.37 |
|
| 1994 |
Zhong W, Vanderbilt D, Rabe KM. Phase transitions in BaTiO3 from first principles Physical Review Letters. 73: 1861-1864. DOI: 10.1103/Physrevlett.73.1861 |
0.585 |
|
| 1994 |
Liu F, Garofalini SH, King-Smith D, Vanderbilt D. First-principles study of crystalline silica Physical Review B. 49: 12528-12534. DOI: 10.1103/Physrevb.49.12528 |
0.33 |
|
| 1993 |
Vanderbilt D, King-Smith RD. Electric polarization as a bulk quantity and its relation to surface charge Physical Review B. 48: 4442-4455. PMID 10008920 DOI: 10.1103/Physrevb.48.4442 |
0.31 |
|
| 1993 |
Kwak KW, King-Smith RD, Vanderbilt D. Column-V acceptors in ZnSe. Physical Review B. 48: 17827-17834. PMID 10008413 DOI: 10.1103/Physrevb.48.17827 |
0.326 |
|
| 1993 |
Lee C, Vanderbilt D, Laasonen K, Car R, Parrinello M. Ab initio studies on the structural and dynamical properties of ice. Physical Review. B, Condensed Matter. 47: 4863-4872. PMID 10006644 DOI: 10.1103/Physrevb.47.4863 |
0.507 |
|
| 1993 |
King-Smith RD, Vanderbilt D. Theory of polarization of crystalline solids. Physical Review B. 47: 1651-1654. PMID 10006189 DOI: 10.1103/Physrevb.47.1651 |
0.356 |
|
| 1993 |
Laasonen K, Pasquarello A, Car R, Lee C, Vanderbilt D. Car-Parrinello molecular dynamics with Vanderbilt ultrasoft pseudopotentials. Physical Review. B, Condensed Matter. 47: 10142-10153. PMID 10005121 DOI: 10.1103/Physrevb.47.10142 |
0.476 |
|
| 1993 |
Liu F, Garofalini SH, King-Smith RD, Vanderbilt D. First-principles studies on structural properties of β-cristobalite Physical Review Letters. 70: 2750-2753. DOI: 10.1103/Physrevlett.70.2750 |
0.312 |
|
| 1993 |
Kwak K, King-Smith R, Vanderbilt D. Pseudopotential total-energy calculations of column-V acceptors in ZnSe Physica B: Condensed Matter. 185: 154-158. DOI: 10.1016/0921-4526(93)90230-4 |
0.307 |
|
| 1993 |
Lee C, Vanderbilt D. Proton transfer in ice Chemical Physics Letters. 210: 279-284. DOI: 10.1016/0009-2614(93)89134-4 |
0.304 |
|
| 1993 |
Laasonen K, Parrinello M, Car R, Lee C, Vanderbilt D. Structures of small water clusters using gradient-corrected density functional theory Chemical Physics Letters. 207: 208-213. DOI: 10.1016/0009-2614(93)87016-V |
0.514 |
|
| 1993 |
Liu F, Garofalini SH, King-Smith RD, Vanderbilt D. Structural and electronic properties of sodium metasilicate Chemical Physics Letters. 215: 401-404. DOI: 10.1016/0009-2614(93)85736-8 |
0.349 |
|
| 1992 |
Lee C, Vanderbilt D, Laasonen K, Car R, Parrinello M. Ab initio studies on high pressure phases of ice. Physical Review Letters. 69: 462-465. PMID 10046945 DOI: 10.1103/Physrevlett.69.462 |
0.519 |
|
| 1992 |
Pasquarello A, Laasonen K, Car R, Lee C, Vanderbilt D. Ab initio molecular dynamics for d-electron systems: Liquid copper at 1500 K. Physical Review Letters. 69: 1982-1985. PMID 10046366 DOI: 10.1103/Physrevlett.69.1982 |
0.515 |
|
| 1992 |
Narasimhan S, Vanderbilt D. Erratum: Elastic stress domains and the herringbone reconstruction on Au(111) (Physical Review Letters (1992) 69, 16, (2455)) Physical Review Letters. 69. DOI: 10.1103/Physrevlett.69.2455 |
0.571 |
|
| 1992 |
King-smith RD, Vanderbilt D. A first-principles pseudopotential investigation of ferroelectricity in barium titanate Ferroelectrics. 136: 85-94. DOI: 10.1080/00150199208016068 |
0.302 |
|
| 1992 |
Vanderbilt D. Phase segregation and work-function variations on metal surfaces: spontaneous formation of periodic domain structures Surface Science. 268: L300-L304. DOI: 10.1016/0039-6028(92)90939-4 |
0.315 |
|
| 1991 |
Alerhand OL, Nihat Berker A, Joannopoulos JD, Vanderbilt D, Hamers RJ, Demuth JE. Alerhand et al. Reply. Physical Review Letters. 66: 962. PMID 10043955 DOI: 10.1103/Physrevlett.66.962 |
0.376 |
|
| 1991 |
Laasonen K, Car R, Lee C, Vanderbilt D. Implementation of ultrasoft pseudopotentials in ab initio molecular dynamics. Physical Review. B, Condensed Matter. 43: 6796-6799. PMID 9998133 DOI: 10.1103/Physrevb.43.6796 |
0.459 |
|
| 1991 |
Narasimhan S, Vanderbilt D. Anharmonic self-energies of phonons in silicon Physical Review B. 43: 4541-4544. DOI: 10.1103/Physrevb.43.4541 |
0.358 |
|
| 1990 |
Alerhand OL, Berker AN, Joannopoulos JD, Vanderbilt D, Hamers RJ, Demuth JE. Finite-temperature phase diagram of vicinal Si(100) surfaces. Physical Review Letters. 64: 2406-2409. PMID 10041704 DOI: 10.1103/Physrevlett.64.2406 |
0.481 |
|
| 1990 |
Vanderbilt D. Soft self-consistent pseudopotentials in a generalized eigenvalue formalism. Physical Review B. 41: 7892-7895. PMID 9993096 DOI: 10.1103/Physrevb.41.7892 |
0.334 |
|
| 1989 |
Vanderbilt D, Taole SH, Narasimhan S. Anharmonic elastic and phonon properties of Si Physical Review B. 40: 5657-5668. PMID 9992603 DOI: 10.1103/Physrevb.40.5657 |
0.353 |
|
| 1988 |
Alerhand OL, Vanderbilt D, Meade RD, Joannopoulos JD. Spontaneous formation of stress domains on crystal surfaces. Physical Review Letters. 61: 1973-1976. PMID 10038946 DOI: 10.1103/Physrevlett.61.1973 |
0.415 |
|
| 1987 |
Hass KC, Vanderbilt D. Bond relaxation in Hg1−xCdxTe and related alloys Journal of Vacuum Science & Technology a: Vacuum, Surfaces, and Films. 5: 3019-3023. DOI: 10.1116/1.574250 |
0.33 |
|
| 1986 |
Payne MC, Joannopoulos JD, Allan DC, Teter MP, Vanderbilt DH. Molecular dynamics and ab initio total energy calculations. Physical Review Letters. 56: 2656. PMID 10033057 DOI: 10.1103/Physrevlett.56.2656 |
0.59 |
|
| 1986 |
Chan CT, Vanderbilt DH, Louie SG. Application of a general self-consistency scheme in the linear combination of atomic orbitals formalism to the electronic and structural properties of Si and W. Physical Review B. 33: 2455-2464. PMID 9938583 DOI: 10.1103/Physrevb.33.2455 |
0.343 |
|
| 1986 |
Vanderbilt D, Louie SG, Cohen ML. Calculation of anharmonic phonon couplings in C, Si, and Ge Physical Review B. 33: 8740-8747. PMID 9938276 DOI: 10.1103/Physrevb.33.8740 |
0.465 |
|
| 1986 |
Chan CT, Vanderbilt DH, Louie SG, Chelikowsky JR. Theoretical study of the cohesive and structural properties of Mo and W in bcc, fcc, and hcp structures Physical Review B. 33: 7941-7946. PMID 9938184 DOI: 10.1103/Physrevb.33.7941 |
0.323 |
|
| 1986 |
Chan CT, Vanderbilt D, Louie SG. Erratum: Application of a general self-consistency scheme in the linear combination of atomic orbitals formalism to the electronic and structural properties of Si and W (Physical Review B (1986) 33, 12, (8791)) Physical Review B. 33. DOI: 10.1103/Physrevb.33.8791.2 |
0.301 |
|
| 1984 |
Vanderbilt D, Louie SG, Cohen ML. Calculation of Phonon-Phonon Interactions and the Absence of Two-Phonon Bound States in Diamond Physical Review Letters. 53: 1477-1480. DOI: 10.1103/Physrevlett.53.1477 |
0.463 |
|
| 1984 |
Vanderbilt D, Louie SG. Total energies of diamond (111) surface reconstructions by a linear combination of atomic orbitals method Physical Review B. 30: 6118-6130. DOI: 10.1103/Physrevb.30.6118 |
0.323 |
|
| 1984 |
Chelikowsky JR, Louie SG, Vanderbilt D, Chan CT. Total energy method for solids and solid surfaces International Journal of Quantum Chemistry. 26: 105-120. DOI: 10.1002/Qua.560260814 |
0.331 |
|
| 1983 |
Vanderbilt D, Joannopoulos JD. Total energies in Se. III. Defects in the glass Physical Review B. 27: 6311-6321. DOI: 10.1103/Physrevb.27.6311 |
0.48 |
|
| 1983 |
Vanderbilt D, Joannopoulos JD. Total energies in Se. II. Vacancy in the crystal Physical Review B. 27: 6302-6310. DOI: 10.1103/Physrevb.27.6302 |
0.413 |
|
| 1983 |
Vanderbilt D, Joannopoulos JD. Total energies in Se. I. The trigonal crystal Physical Review B. 27: 6296-6301. DOI: 10.1103/Physrevb.27.6296 |
0.414 |
|
| 1983 |
Vanderbilt D, Joannopoulos JD. Total energies of structural defects in glassy Se Journal of Non-Crystalline Solids. 937-944. DOI: 10.1016/0022-3093(83)90323-X |
0.487 |
|
| 1982 |
Vanderbilt D, Joannopoulos JD. Bonding Coordination Defect ing-Se: A "Positive-U" System Physical Review Letters. 49: 823-826. DOI: 10.1103/Physrevlett.49.823 |
0.413 |
|
| 1982 |
Vanderbilt D, Joannopoulos JD. Off-diagonal occupation numbers in local-density theory Physical Review B. 26: 3203-3210. DOI: 10.1103/Physrevb.26.3203 |
0.473 |
|
| 1981 |
Vanderbilt D, Joannopoulos JD. Theory of defect states in glassyAs2Se3 Physical Review B. 23: 2596-2606. DOI: 10.1103/Physrevb.23.2596 |
0.435 |
|
| 1980 |
Vanderbilt D, Mele EJ. Effects of disorder on the electronic structure of undoped polyacetylene Physical Review B. 22: 3939-3948. DOI: 10.1103/Physrevb.22.3939 |
0.528 |
|
| 1980 |
Vanderbilt D, Joannopoulos JD. Theory of defect states in glassy selenium Physical Review B. 22: 2927-2939. DOI: 10.1103/Physrevb.22.2927 |
0.501 |
|
| 1980 |
Vanderbilt D, Joannopoulos J. Structural excitation energies in selenium Solid State Communications. 35: 535-538. DOI: 10.1016/0038-1098(80)90891-1 |
0.459 |
|
| 1979 |
Vanderbilt D, Joannopoulos JD. Calculation of Defect States in Amorphous Selenium Physical Review Letters. 42: 1012-1015. DOI: 10.1103/Physrevlett.42.1012 |
0.458 |
|
| Show low-probability matches. |
