| 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 |
0.495 |
|
| 2021 |
Xu X, Huang FT, Qi Y, Singh S, Rabe KM, Obeysekera D, Yang J, Chu MW, Cheong SW. Kinetically stabilized ferroelectricity in bulk single-crystalline HfO:Y. Nature Materials. PMID 33495629 DOI: 10.1038/s41563-020-00897-x |
0.796 |
|
| 2020 |
Qi Y, Singh S, Lau C, Huang FT, Xu X, Walker FJ, Ahn CH, Cheong SW, Rabe KM. Stabilization of Competing Ferroelectric Phases of HfO_{2} under Epitaxial Strain. Physical Review Letters. 125: 257603. PMID 33416369 DOI: 10.1103/PhysRevLett.125.257603 |
0.794 |
|
| 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 |
0.77 |
|
| 2020 |
Du D, Strohbeen PJ, Paik H, Zhang C, Genser KT, Rabe KM, Voyles PM, Schlom DG, Kawasaki JK. Control of polymorphism during epitaxial growth of hyperferroelectric candidate LiZnSb on GaSb (111)B Journal of Vacuum Science & Technology B. 38: 022208. DOI: 10.1116/1.5145217 |
0.433 |
|
| 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 |
|
| 2019 |
Park SY, Rabe KM, Neaton JB. Superlattice-induced ferroelectricity in charge-ordered LaSrFeO. Proceedings of the National Academy of Sciences of the United States of America. PMID 31712434 DOI: 10.1073/Pnas.1906513116 |
0.403 |
|
| 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 |
0.762 |
|
| 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, ... ... Rabe KM, 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 |
0.517 |
|
| 2019 |
Reyes-Lillo SE, Rabe KM, Neaton JB. Ferroelectricity in [111]-oriented epitaxially strained
SrTiO3
from first principles Physical Review Materials. 3. DOI: 10.1103/Physrevmaterials.3.030601 |
0.377 |
|
| 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 |
0.554 |
|
| 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 |
0.512 |
|
| 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 |
0.417 |
|
| 2018 |
Cao Y, Wang Z, Park SY, Yuan Y, Liu X, Nikitin SM, Akamatsu H, Kareev M, Middey S, Meyers D, Thompson P, Ryan PJ, Shafer P, N'Diaye A, Arenholz E, ... ... Rabe KM, et al. Artificial two-dimensional polar metal at room temperature. Nature Communications. 9: 1547. PMID 29670098 DOI: 10.1038/S41467-018-03964-9 |
0.386 |
|
| 2018 |
Monserrat B, Dreyer CE, Rabe KM. Phonon-assisted optical absorption in
BaSnO3
from first principles Physical Review B. 97. DOI: 10.1103/Physrevb.97.104310 |
0.313 |
|
| 2018 |
Liu X, Tsymbal EY, Rabe KM. Polarization-controlled modulation doping of a ferroelectric from first principles Physical Review B. 97. DOI: 10.1103/Physrevb.97.094107 |
0.352 |
|
| 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 |
0.549 |
|
| 2017 |
Park SY, Kumar A, Rabe KM. Charge-Order-Induced Ferroelectricity in LaVO_{3}/SrVO_{3} Superlattices. Physical Review Letters. 118: 087602. PMID 28282196 DOI: 10.1103/Physrevlett.118.087602 |
0.42 |
|
| 2017 |
Ismail-Beigi S, Walker FJ, Disa AS, Rabe KM, Ahn CH. Picoscale materials engineering Nature Reviews Materials. 2. DOI: 10.1038/Natrevmats.2017.60 |
0.305 |
|
| 2016 |
Retuerto M, Skiadopoulou S, Li MR, Abakumov AM, Croft M, Ignatov A, Sarkar T, Abbett BM, Pokorný J, Savinov M, Nuzhnyy D, Prokleška J, Abeykoon M, Stephens PW, Hodges JP, ... ... Rabe KM, et al. Pb2MnTeO6 Double Perovskite: An Antipolar Anti-ferromagnet. Inorganic Chemistry. PMID 27058393 DOI: 10.1021/Acs.Inorgchem.6B00054 |
0.659 |
|
| 2016 |
Wang H, Wen J, Miller DJ, Zhou Q, Chen M, Lee HN, Rabe KM, Wu X. Publisher's Note: Stabilization of Highly Polar BiFeO3-Like Structure: A New Interface Design Route for Enhanced Ferroelectricity in Artificial Perovskite Superlattices [Phys. Rev. X 6, 011027 (2016)] Physical Review X. 6. DOI: 10.1103/Physrevx.6.029901 |
0.559 |
|
| 2016 |
Wang H, Wen J, Miller DJ, Zhou Q, Chen M, Lee HN, Rabe KM, Wu X. Stabilization of highly polar BiFeO3-like structure: A new interface design route for enhanced ferroelectricity in artificial perovskite superlattices Physical Review X. 6. DOI: 10.1103/Physrevx.6.011027 |
0.625 |
|
| 2015 |
Zhou Y, Rabe KM. Coupled Nonpolar-Polar Metal-Insulator Transition in 1∶1 SrCrO_{3}/SrTiO_{3} Superlattices: A First-Principles Study. Physical Review Letters. 115: 106401. PMID 26382686 DOI: 10.1103/Physrevlett.115.106401 |
0.416 |
|
| 2015 |
Shimizu H, Guo H, Reyes-Lillo SE, Mizuno Y, Rabe KM, Randall CA. Lead-free antiferroelectric: xCaZrO3-(1 -x)NaNbO3 system (0 ≤x≤ 0.10). Dalton Transactions (Cambridge, England : 2003). 44: 10763-72. PMID 25700274 DOI: 10.1039/C4Dt03919J |
0.378 |
|
| 2015 |
Zhou Y, Rabe KM. Coupled Nonpolar-Polar Metal-Insulator Transition in 1:1 SrCrO3/SrTiO3 Superlattices: A First-Principles Study Physical Review Letters. 115. DOI: 10.1103/PhysRevLett.115.106401 |
0.319 |
|
| 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 |
0.535 |
|
| 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 |
0.559 |
|
| 2014 |
Reyes-Lillo SE, Garrity KF, Rabe KM. Antiferroelectricity in thin-film ZrO2 from first principles Physical Review B - Condensed Matter and Materials Physics. 90. DOI: 10.1103/Physrevb.90.140103 |
0.478 |
|
| 2014 |
Zhou Y, Rabe KM. Determination of ground-state and low-energy structures of perovskite superlattices from first principles Physical Review B - Condensed Matter and Materials Physics. 89. DOI: 10.1103/Physrevb.89.214108 |
0.327 |
|
| 2014 |
Kamba S, Goian V, Skoromets V, Hejtmánek J, Bovtun V, Kempa M, Borodavka F, Vaněk P, Belik AA, Lee JH, Pacherová O, Rabe KM. Strong spin-phonon coupling in infrared and Raman spectra of SrMnO 3 Physical Review B - Condensed Matter and Materials Physics. 89. DOI: 10.1103/Physrevb.89.064308 |
0.376 |
|
| 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 |
0.506 |
|
| 2013 |
Choi WS, Jeen H, Lee JH, Seo SS, Cooper VR, Rabe KM, Lee HN. Reversal of the lattice structure in SrCoO(x) epitaxial thin films studied by real-time optical spectroscopy and first-principles calculations. Physical Review Letters. 111: 097401. PMID 24033069 DOI: 10.1103/Physrevlett.111.097401 |
0.404 |
|
| 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 |
0.533 |
|
| 2013 |
Bennett JW, Garrity KF, Rabe KM, Vanderbilt D. Orthorhombic ABC semiconductors as antiferroelectrics Physical Review Letters. 110. DOI: 10.1103/PhysRevLett.110.017603 |
0.438 |
|
| 2013 |
Reyes-Lillo SE, Rabe KM. Antiferroelectricity and ferroelectricity in epitaxially strained PbZrO3 from first principles Physical Review B - Condensed Matter and Materials Physics. 88. DOI: 10.1103/Physrevb.88.180102 |
0.405 |
|
| 2013 |
Lee JH, Delaney KT, Bousquet E, Spaldin NA, Rabe KM. Strong coupling of jahn-teller distortion to oxygen-octahedron rotation and functional properties in epitaxially strained orthorhombic LaMnO3 Physical Review B - Condensed Matter and Materials Physics. 88. DOI: 10.1103/Physrevb.88.174426 |
0.435 |
|
| 2013 |
Zhou Y, Rabe KM. Epitaxial strain effects on magnetic ordering and spin-phonon couplings in the (SrMnO3)1/(LaMnO3)1 superlattice from first principles Physical Review B - Condensed Matter and Materials Physics. 88. DOI: 10.1103/Physrevb.88.094416 |
0.419 |
|
| 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 |
0.555 |
|
| 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 |
0.519 |
|
| 2012 |
Bennett JW, Garrity KF, Rabe KM, Vanderbilt D. Hexagonal ABC semiconductors as ferroelectrics Physical Review Letters. 109. DOI: 10.1103/PhysRevLett.109.167602 |
0.506 |
|
| 2012 |
Roy A, Bennett JW, Rabe KM, Vanderbilt D. Half-heusler semiconductors as piezoelectrics Physical Review Letters. 109. DOI: 10.1103/PhysRevLett.109.037602 |
0.446 |
|
| 2012 |
Kumar A, Fennie CJ, Rabe KM. Spin-lattice coupling and phonon dispersion of CdCr2O 4 from first principles Physical Review B - Condensed Matter and Materials Physics. 86. DOI: 10.1103/Physrevb.86.184429 |
0.676 |
|
| 2012 |
Gu Y, Rabe K, Bousquet E, Gopalan V, Chen LQ. Phenomenological thermodynamic potential for CaTiO 3 single crystals Physical Review B - Condensed Matter and Materials Physics. 85. DOI: 10.1103/Physrevb.85.064117 |
0.422 |
|
| 2012 |
Bennett JW, Rabe KM. Integration of first-principles methods and crystallographic database searches for new ferroelectrics: Strategies and explorations Journal of Solid State Chemistry. 195: 21-31. DOI: 10.1016/J.Jssc.2012.05.013 |
0.37 |
|
| 2011 |
Lee JH, Rabe KM. Coupled magnetic-ferroelectric metal-insulator transition in epitaxially strained SrCoO3 from first principles. Physical Review Letters. 107: 067601. PMID 21902368 DOI: 10.1103/Physrevlett.107.067601 |
0.423 |
|
| 2011 |
Lee JH, Fang L, Vlahos E, Ke X, Jung YW, Kourkoutis LF, Kim JW, Ryan PJ, Heeg T, Roeckerath M, Goian V, Bernhagen M, Uecker R, Hammel PC, Rabe KM, et al. A strong ferroelectric ferromagnet created by means of spin-lattice coupling. Nature. 476: 114. PMID 21734661 DOI: 10.1038/nature10219 |
0.582 |
|
| 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 |
0.611 |
|
| 2011 |
Lee JH, Rabe KM. Large spin-phonon coupling and magnetically induced phonon anisotropy in SrMO3 perovskites (M=V,Cr,Mn,Fe,Co) Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/Physrevb.84.104440 |
0.376 |
|
| 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 |
0.578 |
|
| 2010 |
Lee JH, Rabe KM. Epitaxial-strain-induced multiferroicity in SrMnO3 from first principles. Physical Review Letters. 104: 207204. PMID 20867057 DOI: 10.1103/Physrevlett.104.207204 |
0.419 |
|
| 2010 |
Lee JH, Fang L, Vlahos E, Ke X, Jung YW, Kourkoutis LF, Kim JW, Ryan PJ, Heeg T, Roeckerath M, Goian V, Bernhagen M, Uecker R, Hammel PC, Rabe KM, et al. A strong ferroelectric ferromagnet created by means of spin-lattice coupling. Nature. 466: 954-8. PMID 20725036 DOI: 10.1038/Nature09331 |
0.691 |
|
| 2010 |
Pálová L, Chandra P, Rabe KM. Magnetostructural effect in the multiferroic BiFeO3-BiMnO3 checkerboard from first principles. Physical Review Letters. 104: 037202. PMID 20366677 DOI: 10.1103/Physrevlett.104.037202 |
0.363 |
|
| 2010 |
Rabe KM. First-principles calculations of complex metal-oxide materials Annual Review of Condensed Matter Physics. 1: 211-235. DOI: 10.1146/Annurev-Conmatphys-070909-103932 |
0.329 |
|
| 2010 |
Pálová L, Chandra P, Rabe KM. Multiferroic BiFeO3-BiMnO3 nanoscale checkerboard from first principles Physical Review B - Condensed Matter and Materials Physics. 82. DOI: 10.1103/Physrevb.82.075432 |
0.334 |
|
| 2010 |
Kan D, Pálová L, Anbusathaiah V, Cheng CJ, Fujino S, Nagarajan V, Rabe KM, Takeuchi I. Universal behavior and electric-field-lnduced structural transition in rare-earth-substituted BiFeO3 Advanced Functional Materials. 20: 1108-1115. DOI: 10.1002/Adfm.200902017 |
0.436 |
|
| 2009 |
Eklund CJ, Fennie CJ, Rabe KM. Strain-induced ferroelectricity in orthorhombic CaTiO3 from first principles Physical Review B - Condensed Matter and Materials Physics. 79. DOI: 10.1103/Physrevb.79.220101 |
0.779 |
|
| 2009 |
Cooper VR, Rabe KM. Enhancing piezoelectricity through polarization-strain coupling in ferroelectric superlattices Physical Review B - Condensed Matter and Materials Physics. 79. DOI: 10.1103/Physrevb.79.180101 |
0.415 |
|
| 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 |
0.587 |
|
| 2009 |
Orloff ND, Tian W, Fennie CJ, Lee CH, Gu D, Mateu J, Xi XX, Rabe KM, Schlom DG, Takeuchi I, Booth JC. Broadband dielectric spectroscopy of Ruddlesden-Popper Srn+1 Tin O3n+1 (n=1,2,3) thin films Applied Physics Letters. 94. DOI: 10.1063/1.3046792 |
0.614 |
|
| 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 |
0.537 |
|
| 2008 |
Zayak AT, Huang X, Neaton JB, Rabe KM. Manipulating magnetic properties of SrRuO3 and CaRuO3 with epitaxial and uniaxial strains Physical Review B - Condensed Matter and Materials Physics. 77. DOI: 10.1103/Physrevb.77.214410 |
0.383 |
|
| 2007 |
Rabe KM. Solid-state physics: response with a twist. Nature. 449: 674-5. PMID 17928852 DOI: 10.1038/449674A |
0.345 |
|
| 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 |
0.739 |
|
| 2007 |
Schlom DG, Chen LQ, Eom CB, Rabe KM, Streiffer SK, Triscone JM. Strain tuning of ferroelectric thin films Annual Review of Materials Research. 37: 589-626. DOI: 10.1146/Annurev.Matsci.37.061206.113016 |
0.381 |
|
| 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 |
0.727 |
|
| 2007 |
Tenne DA, Gonenli IE, Soukiassian A, Schlom DG, Nakhmanson SM, Rabe KM, Xi XX. Raman study of oxygen reduced and re-oxidized strontium titanate Physical Review B - Condensed Matter and Materials Physics. 76. DOI: 10.1103/Physrevb.76.024303 |
0.641 |
|
| 2007 |
Cooper VR, Johnston K, Rabe KM. Polarization enhancement in short period superlattices via interfacial intermixing Physical Review B - Condensed Matter and Materials Physics. 76. DOI: 10.1103/Physrevb.76.020103 |
0.383 |
|
| 2007 |
Pálová L, Chandra P, Rabe KM. Modeling the dependence of properties of ferroelectric thin film on thickness Physical Review B - Condensed Matter and Materials Physics. 76. DOI: 10.1103/Physrevb.76.014112 |
0.346 |
|
| 2006 |
Fennie CJ, Rabe KM. Magnetic and electric phase control in epitaxial EuTiO(3) from first principles. Physical Review Letters. 97: 267602. PMID 17280465 DOI: 10.1103/Physrevlett.97.267602 |
0.65 |
|
| 2006 |
Vasudevarao A, Kumar A, Tian L, Haeni JH, Li YL, Eklund CJ, Jia QX, Uecker R, Reiche P, Rabe KM, Chen LQ, Schlom DG, Gopalan V. Multiferroic domain dynamics in strained strontium titanate. Physical Review Letters. 97: 257602. PMID 17280393 DOI: 10.1103/Physrevlett.97.257602 |
0.691 |
|
| 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 |
0.536 |
|
| 2006 |
Tenne DA, Bruchhausen A, Lanzillotti-Kimura ND, Fainstein A, Katiyar RS, Cantarero A, Soukiassian A, Vaithyanathan V, Haeni JH, Tian W, Schlom DG, Choi KJ, Kim DM, Eom CB, Sun HP, ... ... Rabe KM, et al. Probing nanoscale ferroelectricity by ultraviolet Raman spectroscopy. Science (New York, N.Y.). 313: 1614-6. PMID 16973874 DOI: 10.1126/Science.1130306 |
0.657 |
|
| 2006 |
Fennie CJ, Rabe KM. Magnetically induced phonon anisotropy in ZnCr2O4 from first principles. Physical Review Letters. 96: 205505. PMID 16803185 DOI: 10.1103/Physrevlett.96.205505 |
0.643 |
|
| 2006 |
Zayak AT, Huang X, Neaton JB, Rabe KM. Structural, electronic, and magnetic properties of SrRu O3 under epitaxial strain Physical Review B - Condensed Matter and Materials Physics. 74. DOI: 10.1103/Physrevb.74.094104 |
0.403 |
|
| 2006 |
Thonhauser T, Rabe KM. Fcc breathing instability in BaBiO3 from first principles Physical Review B - Condensed Matter and Materials Physics. 73. DOI: 10.1103/Physrevb.73.212106 |
0.357 |
|
| 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 |
0.711 |
|
| 2006 |
Nagarajan V, Junquera J, He JQ, Jia CL, Waser R, Lee K, Kim YK, Baik S, Zhao T, Ramesh R, Ghosez P, Rabe KM. Scaling of structure and electrical properties in ultrathin epitaxial ferroelectric heterostructures Journal of Applied Physics. 100. DOI: 10.1063/1.2337363 |
0.379 |
|
| 2006 |
Tian W, Jiang JC, Pan XQ, Haeni JH, Li YL, Chen LQ, Schlom DG, Neaton JB, Rabe KM, Jia QX. Structural evidence for enhanced polarization in a commensurate short-period BaTiO 3/SrTiO 3 superlattice Applied Physics Letters. 89. DOI: 10.1063/1.2335367 |
0.411 |
|
| 2006 |
Fennie CJ, Rabe KM. Ferroelectricity in the Dion-Jacobson CsBiNb 2O 7 from first principles Applied Physics Letters. 88. DOI: 10.1063/1.2218040 |
0.657 |
|
| 2006 |
Zayak AT, Adeagbo WA, Entel P, Rabe KM. e/a dependence of the lattice instability of cubic Heusler alloys from first principles Applied Physics Letters. 88. DOI: 10.1063/1.2185046 |
0.362 |
|
| 2005 |
Dawber M, Rabe KM, Scott JF. Physics of thin-film ferroelectric oxides Reviews of Modern Physics. 77: 1083-1130. DOI: 10.1103/Revmodphys.77.1083 |
0.33 |
|
| 2005 |
Dawber M, Lichtensteiger C, Cantoni M, Veithen M, Ghosez P, Johnston K, Rabe KM, Triscone JM. Unusual behavior of the ferroelectric polarization in PbTiO3/SrTiO3 superlattices Physical Review Letters. 95. DOI: 10.1103/Physrevlett.95.177601 |
0.397 |
|
| 2005 |
Fennie CJ, Rabe KM. Polar phonons and intrinsic dielectric response of the ferromagnetic insulating spinel Cd Cr2 S4 from first principles Physical Review B - Condensed Matter and Materials Physics. 72. DOI: 10.1103/Physrevb.72.214123 |
0.653 |
|
| 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 |
0.587 |
|
| 2005 |
Fennie CJ, Rabe KM. Ferroelectric transition in YMnO3 from first principles Physical Review B - Condensed Matter and Materials Physics. 72. DOI: 10.1103/Physrevb.72.100103 |
0.697 |
|
| 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 |
0.511 |
|
| 2005 |
Zayak AT, Entel P, Rabe KM, Adeagbo WA, Acet M. Anomalous vibrational effects in nonmagnetic and magnetic Heusler alloys Physical Review B - Condensed Matter and Materials Physics. 72. DOI: 10.1103/Physrevb.72.054113 |
0.324 |
|
| 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 |
0.549 |
|
| 2005 |
Johnston K, Huang X, Neaton JB, Rabe KM. First-principles study of symmetry lowering and polarization in BaTiO 3/SrTiO 3 superlattices with in-plane expansion Physical Review B - Condensed Matter and Materials Physics. 71. DOI: 10.1103/Physrevb.71.100103 |
0.435 |
|
| 2005 |
Fennie CJ, Rabe KM. First-principles investigation of ferroelectricity in epitaxially strained Pb 2TiO 4 Physical Review B - Condensed Matter and Materials Physics. 71. DOI: 10.1103/Physrevb.71.100102 |
0.694 |
|
| 2005 |
Bungaro C, Rabe KM. Coexistence of antiferrodistortive and ferroelectric distortions at the PbTiO 3 (001) surface Physical Review B - Condensed Matter and Materials Physics. 71. DOI: 10.1103/Physrevb.71.035420 |
0.322 |
|
| 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 |
0.552 |
|
| 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 |
0.594 |
|
| 2005 |
Neaton JB, Ederer C, Waghmare UV, Spaldin NA, Rabe KM. First-principles study of spontaneous polarization in multiferroic BiFeO 3 Physical Review B - Condensed Matter and Materials Physics. 71. DOI: 10.1103/Physrevb.71.014113 |
0.445 |
|
| 2005 |
Posadas A, Yau JB, Ahn CH, Han J, Gariglio S, Johnston K, Rabe KM, Neaton JB. Epitaxial growth of multiferroic YMnO 3 on GaN Applied Physics Letters. 87: 1-3. DOI: 10.1063/1.2120903 |
0.344 |
|
| 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 |
0.711 |
|
| 2005 |
Rabe KM. Theoretical investigations of epitaxial strain effects in ferroelectric oxide thin films and superlattices Current Opinion in Solid State and Materials Science. 9: 122-127. DOI: 10.1016/J.Cossms.2006.06.003 |
0.403 |
|
| 2004 |
Ahn CH, Rabe KM, Triscone JM. Ferroelectricity at the Nanoscale: Local Polarization in Oxide Thin Films and Heterostructures Science. 303: 488-491. DOI: 10.1126/Science.1092508 |
0.346 |
|
| 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 |
0.51 |
|
| 2004 |
Huang X, Naumov II, Rabe KM. Phonon anomalies and elastic constants of cubic NiAl from first principles Physical Review B - Condensed Matter and Materials Physics. 70. DOI: 10.1103/Physrevb.70.064301 |
0.377 |
|
| 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 |
0.581 |
|
| 2004 |
Bungaro C, Rabe KM. Epitaxially strained [001]-(PbTiO3)1(PbZrO 3)1 superlattice and PbTiO3 from first principles Physical Review B - Condensed Matter and Materials Physics. 69. DOI: 10.1103/Physrevb.69.184101 |
0.445 |
|
| 2004 |
Reiner JW, Walker FJ, McKee RA, Billman CA, Junquera J, Rabe KM, Ahn CH. Ferroelectric stability of BaTiO3 in a crystalline oxide on semiconductor structure Physica Status Solidi (B) Basic Research. 241: 2287-2290. DOI: 10.1002/Pssb.200404932 |
0.336 |
|
| 2003 |
Wang J, Neaton JB, Zheng H, Nagarajan V, Ogale SB, Liu B, Viehland D, Vaithyanathan V, Schlom DG, Waghmare UV, Spaldin NA, Rabe KM, Wuttig M, Ramesh R. Epitaxial BiFeO3 multiferroic thin film heterostructures. Science (New York, N.Y.). 299: 1719-22. PMID 12637741 DOI: 10.1126/Science.1080615 |
0.363 |
|
| 2003 |
Ackland GJ, Huang X, Rabe KM. First-principles thermodynamics of transition metals: W, NiAl, and PdTi Physical Review B - Condensed Matter and Materials Physics. 68: 2141041-2141047. DOI: 10.1103/Physrevb.68.214104 |
0.337 |
|
| 2003 |
Fennie CJ, Rabe KM. Structural and dielectric properties ofSr2TiO4from first principles Physical Review B. 68. DOI: 10.1103/Physrevb.68.184111 |
0.635 |
|
| 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 |
0.538 |
|
| 2003 |
Bungaro C, Rabe KM, Dal Corso A. First-principles study of lattice instabilities in ferromagnetic Ni 2MnGa Physical Review B - Condensed Matter and Materials Physics. 68: 1341041-1341049. DOI: 10.1103/Physrevb.68.134104 |
0.369 |
|
| 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 |
0.52 |
|
| 2003 |
Huang X, Rabe KM, Ackland GJ. First-principles study of the structural energetics of PdTi and PtTi Physical Review B - Condensed Matter and Materials Physics. 67: 241011-241018. DOI: 10.1103/Physrevb.67.024101 |
0.389 |
|
| 2003 |
Neaton JB, Rabe KM. Theory of polarization enhancement in epitaxial BaTiO3/SrTiO3 superlattices Applied Physics Letters. 82: 1586-1588. DOI: 10.1063/1.1559651 |
0.399 |
|
| 2003 |
Fennie CJ, Rabe KM. Structural and dielectric properties of Sr2TiO4 from first principles Physical Review B - Condensed Matter and Materials Physics. 68: 1841111-1841119. |
0.651 |
|
| 2002 |
Rabe KM. Computational materials science: Think locally, act globally. Nature Materials. 1: 147-8. PMID 12618796 DOI: 10.1038/Nmat753 |
0.317 |
|
| 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 |
0.571 |
|
| 2002 |
Bungaro C, Rabe KM. Lattice instabilities of PbZrO3/PbTiO3 [1:1] superlattices from first principles Physical Review B - Condensed Matter and Materials Physics. 65: 2241061-2241069. DOI: 10.1103/Physrevb.65.224106 |
0.354 |
|
| 2002 |
Huang X, Bungaro C, Godlevsky V, Rabe KM. Lattice instabilities of cubic niti from first principles Physical Review B - Condensed Matter and Materials Physics. 65: 141081-141085. DOI: 10.1103/Physrevb.65.014108 |
0.358 |
|
| 2002 |
Li H, Zheng H, Salamanca-Riba L, Ramesh R, Naumov I, Rabe K. Origin of antiphase domain boundaries and their effect on the dielectric constant of Ba0.5Sr0.5TiO3 films grown on MgO substrates Applied Physics Letters. 81: 4398-4400. DOI: 10.1063/1.1523632 |
0.321 |
|
| 2002 |
Neaton JB, Hsueh CL, Rabe KM. Enhanced polarization in strained BaTiO3 from first principles Materials Research Society Symposium - Proceedings. 718: 311-316. |
0.363 |
|
| 2001 |
Godlevsky VV, Rabe KM. Soft tetragonal distortions in ferromagneticNi2MnGaand related materials from first principles Physical Review B. 63. DOI: 10.1103/Physrevb.63.134407 |
0.313 |
|
| 2000 |
Ghosez P, Rabe KM. Microscopic model of ferroelectricity in stress-free PbTiO3 ultrathin films Applied Physics Letters. 76: 2767-2769. DOI: 10.1063/1.126469 |
0.364 |
|
| 2000 |
Rabe K, Ghosez P. Journal of Electroceramics. 4: 379-383. DOI: 10.1023/A:1009991332731 |
0.365 |
|
| 2000 |
Cockayne E, Rabe K. Pressure dependence of instabilities in perovskite PbZrO3 Journal of Physics and Chemistry of Solids. 61: 305-308. DOI: 10.1016/S0022-3697(99)00298-X |
0.362 |
|
| 1999 |
Hill NA, Rabe KM. First principles investigation of multiferroism in perovskite manganites Materials Research Society Symposium - Proceedings. 574: 157-162. DOI: 10.1557/Proc-574-157 |
0.374 |
|
| 1999 |
Ravel B, Cockayne E, Rabe KM. The local structure of ferroelectric Pb1-xGexTe Journal of Synchrotron Radiation. 6: 567-569. DOI: 10.1107/S0909049598015192 |
0.342 |
|
| 1999 |
Ghosez P, Cockayne E, Waghmare UV, Rabe KM. Lattice dynamics ofBaTiO3,PbTiO3, andPbZrO3: A comparative first-principles study Physical Review B. 60: 836-843. DOI: 10.1103/Physrevb.60.836 |
0.389 |
|
| 1999 |
Ravel B, Cockayne E, Newville M, Rabe KM. Combined EXAFS and first-principles theory study ofPb1−xGexTe Physical Review B. 60: 14632-14642. DOI: 10.1103/Physrevb.60.14632 |
0.323 |
|
| 1999 |
Hill NA, Rabe KM. First-principles investigation of ferromagnetism and ferroelectricity in bismuth manganite Physical Review B - Condensed Matter and Materials Physics. 59: 8759-8769. DOI: 10.1103/Physrevb.59.8759 |
0.427 |
|
| 1999 |
Krakauer H, Yu R, Wang CZ, Rabe KM, Waghmare UV. Dynamic local distortions in KNbO3 Journal of Physics Condensed Matter. 11: 3779-3787. DOI: 10.1088/0953-8984/11/18/313 |
0.341 |
|
| 1998 |
Cockayne E, Rabe KM. Enhancement of piezoelectricity in a mixed ferroelectric Physical Review B - Condensed Matter and Materials Physics. 57. DOI: 10.1103/Physrevb.57.R13973 |
0.413 |
|
| 1998 |
Cockayne E, Rabe KM. Configuration dependence of physical properties of a ferroelectric solid solution Arxiv: Materials Science. 436: 71-80. DOI: 10.1063/1.56282 |
0.381 |
|
| 1998 |
Rabe KM, Cockayne E. Temperature-dependent dielectric and piezoelectric response of ferroelectrics from first principles Arxiv: Materials Science. 436: 61-70. DOI: 10.1063/1.56281 |
0.321 |
|
| 1997 |
Cockayne E, Rabe KM. Ab initiostudy of the ferroelectric transition in cubicPb3GeTe4 Physical Review B. 56: 7947-7961. DOI: 10.1103/Physrevb.56.7947 |
0.314 |
|
| 1997 |
Waghmare UV, Rabe KM. Ab initio statistical mechanics of the ferroelectric phase transition inPbTiO3 Physical Review B. 55: 6161-6173. DOI: 10.1103/Physrevb.55.6161 |
0.43 |
|
| 1997 |
Waghmare UV, Rabe KM. Lattice instabilities, anharmonicity and phase transitions in PbZrO3from first principles Ferroelectrics. 194: 135-147. DOI: 10.1080/00150199708016088 |
0.374 |
|
| 1997 |
Rabe KM, Waghmare UV. Strain coupling in perovskite structural transitions: A first principles approach Ferroelectrics. 194: 119-134. DOI: 10.1080/00150199708016087 |
0.399 |
|
| 1996 |
Öğüt S, Rabe KM. Anomalous effective charges and far-IR optical absorption of Al2Ru from first principles. Physical Review B. 54: 8297-8300. PMID 9984579 DOI: 10.1103/Physrevb.54.R8297 |
0.321 |
|
| 1996 |
Rabe KM, Waghmare UV. Lattice instabilities, anharmonicity and phase transitions in PbTiO3 and PbZrO3 Materials Research Society Symposium - Proceedings. 408: 305-307. DOI: 10.1557/Proc-408-305 |
0.409 |
|
| 1996 |
Rabe K, Waghmare UV. Strain coupling in the PbTiO3 ferroelectric transition Philosophical Transactions of the Royal Society A. 354: 2897-2914. DOI: 10.1098/Rsta.1996.0134 |
0.388 |
|
| 1996 |
Rabe KM, Waghmare UV. Ferroelectric phase transitions from first principles Journal of Physics and Chemistry of Solids. 57: 1397-1403. DOI: 10.1016/0022-3697(96)00004-2 |
0.419 |
|
| 1995 |
Öǧüt S, Rabe KM. Polymorphism and metastability in NbN: Structural predictions from first principles Physical Review B. 52. DOI: 10.1103/Physrevb.52.R8585 |
0.38 |
|
| 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 |
0.588 |
|
| 1995 |
Rabe KM, Waghmare UV. Localized basis for effective lattice Hamiltonians: Lattice Wannier functions Physical Review B. 52: 13236-13246. DOI: 10.1103/Physrevb.52.13236 |
0.384 |
|
| 1995 |
Ǧüt S, Rabe KM. Band gap and stability in the ternary intermetallic compounds NiSnM (M=Ti,Zr,Hf): A first-principles study Physical Review B. 51: 10443-10453. DOI: 10.1103/Physrevb.51.10443 |
0.339 |
|
| 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 |
0.571 |
|
| 1995 |
Rabe KM, Waghmare UV. Ferroelectric phase transitions: A first-principles approach Ferroelectrics. 164: 15-32. DOI: 10.1080/00150199508221827 |
0.389 |
|
| 1995 |
Özdaş E, Kortan AR, Kopylov N, Ramirez AP, Siegrist T, Rabe KM, Bair HE, Schuppler S, Citrin PH. Superconductivity and cation-vacancy ordering in the rare-earth fulleride Yb2.75C60 Nature. 375: 126-129. DOI: 10.1038/375126A0 |
0.32 |
|
| 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 |
0.583 |
|
| 1994 |
Ogut S, Rabe KM. Ab initio pseudopotential calculations for aluminum-rich cobalt compounds Physical Review B. 50: 2075-2084. DOI: 10.1103/Physrevb.50.2075 |
0.333 |
|
| 1994 |
Rabe KM, Waghmare UV. First-Principles Model Hamiltonians For Ferroelectric Phase Transitions Ferroelectrics. 151: 59-68. DOI: 10.1080/00150199208016074 |
0.365 |
|
| 1993 |
Rabe KM, Phillips JC, Vandenberg JM. Structures and phases of superconducting alkali-metal doped C60. Physical Review. B, Condensed Matter. 47: 13067-13069. PMID 10005528 DOI: 10.1103/Physrevb.47.13067 |
0.325 |
|
| 1993 |
Rabe KM. Quantum diagrams and the prediction of new materials Journal of Alloys and Compounds. 197: 131-135. DOI: 10.1016/0925-8388(93)90035-L |
0.304 |
|
| 1992 |
Rabe KM, Phillips JC, Villars P, Brown ID. Global multinary structural chemistry of stable quasicrystals, high-TC ferroelectrics, and high-Tc superconductors Physical Review B. 45: 7650-7676. DOI: 10.1103/Physrevb.45.7650 |
0.33 |
|
| 1992 |
Villars P, Phillips JC, Rabe KM, Brown ID. Chemical trends in high-Tcferroelectricity and superconductivity Ferroelectrics. 130: 129-135. DOI: 10.1080/00150199208019539 |
0.343 |
|
| 1991 |
Rappe AM, Rabe KM, Kaxiras E, Joannopoulos JD. Erratum: Optimized pseudopotentials Physical Review. B, Condensed Matter. 44: 13175-13176. PMID 10021556 DOI: 10.1103/Physrevb.44.13175.3 |
0.615 |
|
| 1991 |
Phillips JC, Rabe KM. Anomalous properties and microstructural model of superconductivity in La2-x(Ba,Sr)xCuO4 Physical Review B. 44: 2863-2866. DOI: 10.1103/Physrevb.44.2863 |
0.324 |
|
| 1990 |
Rappe AM, Rabe KM, Kaxiras E, Joannopoulos JD. Optimized pseudopotentials. Physical Review. B, Condensed Matter. 41: 1227-1230. PMID 9993827 DOI: 10.1103/PhysRevB.41.1227 |
0.586 |
|
| 1990 |
Cava RJ, Hewat AW, Hewat EA, Batlogg B, Marezio M, Rabe KM, Krajewski JJ, Peck WF, Rupp LW. Structural anomalies, oxygen ordering and superconductivity in oxygen deficient Ba2YCu3Ox Physica C: Superconductivity and Its Applications. 165: 419-433. DOI: 10.1016/0921-4534(90)90376-P |
0.303 |
|
| 1988 |
Joannopoulos J, Rabe K, Needels M. Predicting Properties of Solids at Finite Temperatures Mrs Proceedings. 141. DOI: 10.1557/Proc-141-123 |
0.407 |
|
| 1987 |
Rabe KM, Joannopoulos JD. Ab initio determination of a structural phase transition temperature Physical Review Letters. 59: 570-573. DOI: 10.1103/Physrevlett.59.570 |
0.54 |
|
| 1987 |
Rabe KM, Joannopoulos JD. Theory of the structural phase transition of GeTe Physical Review B. 36: 6631-6639. DOI: 10.1103/Physrevb.36.6631 |
0.557 |
|
| 1987 |
Rabe KM, Joannopoulos JD. Structural properties of GeTe at T=0 Physical Review B. 36: 3319-3324. DOI: 10.1103/Physrevb.36.3319 |
0.512 |
|
| 1987 |
Rabe KM. Ab initio statistical mechanics of structural phase transitions Modern Problems in Condensed Matter Sciences. 32: 135-175. DOI: 10.1016/B978-0-444-88885-3.50008-1 |
0.373 |
|
| 1985 |
Rabe KM, Joannopoulos JD. Ab initio relativistic pseudopotential study of the zero-temperature structural properties of SnTe and PbTe Physical Review B. 32: 2302-2314. DOI: 10.1103/Physrevb.32.2302 |
0.524 |
|
| Show low-probability matches. |
