Karin M. Rabe - Publications

Affiliations: 
Graduate School - New Brunswick Rutgers University, New Brunswick, New Brunswick, NJ, United States 
Area:
Astronomy and Astrophysics, Condensed Matter Physics
Website:
http://www.physics.rutgers.edu/~karin/

141 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
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  0.48
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  0.84
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  1
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  1
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  1
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  1
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  1
2013 Choi WS, Jeen H, Lee JH, Seo SSA, Cooper VR, Rabe KM, Lee HN. Reversal of the lattice structure in SrCoOx epitaxial thin films studied by real-time optical spectroscopy and first-principles calculations Physical Review Letters. 111. DOI: 10.1103/PhysRevLett.111.097401  1
2013 Bennett JW, Garrity KF, Rabe KM, Vanderbilt D. Orthorhombic ABC semiconductors as antiferroelectrics Physical Review Letters. 110. DOI: 10.1103/PhysRevLett.110.017603  1
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  1
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  1
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  1
2013 Kumar A, Rabe KM, Waghmare UV. Domain formation and dielectric response in PbTiO3: A first-principles free-energy landscape analysis Physical Review B - Condensed Matter and Materials Physics. 87. DOI: 10.1103/PhysRevB.87.024107  1
2012 Bennett JW, Garrity KF, Rabe KM, Vanderbilt D. Hexagonal ABC semiconductors as ferroelectrics Physical Review Letters. 109. DOI: 10.1103/PhysRevLett.109.167602  1
2012 Roy A, Bennett JW, Rabe KM, Vanderbilt D. Half-heusler semiconductors as piezoelectrics Physical Review Letters. 109. DOI: 10.1103/PhysRevLett.109.037602  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
2007 Rabe KM. Solid-state physics: response with a twist. Nature. 449: 674-5. PMID 17928852 DOI: 10.1038/449674a  1
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  1
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  1
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  1
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  1
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  1
2007 Junquera J, Cohen MH, Rabe KM. Nanoscale smoothing and the analysis of interfacial charge and dipolar densities Journal of Physics Condensed Matter. 19. DOI: 10.1088/0953-8984/19/21/213203  1
2007 Rabe KM, Ghosez P. First-principles studies of ferroelectric oxides Topics in Applied Physics. 105: 117-174. DOI: 10.1007/978-3-540-34591-6_4  1
2007 Rabe KM, Dawber M, Lichtensteiger C, Ahn CH, Triscone JM. Modern physics of ferroelectrics: Essential background Topics in Applied Physics. 105: 1-30. DOI: 10.1007/978-3-540-34591-6_1  1
2007 Rabe KM, Ahn CH, Triscone JM. Topics in Applied Physics: Preface Topics in Applied Physics. 105: v-vi. DOI: 10.1007/978-3-540-34591-6  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
2006 Rabe KM. Nanoelectronics: New life for the ‘dead layer’ Nature Nanotechnology. 1: 171-172. DOI: 10.1038/nnano.2006.162  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
2003 Huang X, Ackland GJ, Rabe KM. Crystal structures and shape-memory behaviour of NiTi. Nature Materials. 2: 307-11. PMID 12704381 DOI: 10.1038/nmat884  1
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  1
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  1
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.  1
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.  1
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.  1
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.  1
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.  1
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.  1
2002 Rabe KM. Computational materials science: Think locally, act globally. Nature Materials. 1: 147-8. PMID 12618796 DOI: 10.1038/nmat753  1
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  1
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.  1
2002 Rabe KM. Tunability of high-dielectric-constant materials from first principles Materials Research Society Symposium - Proceedings. 718: 323-328.  1
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.  1
2002 Neaton JB, Hsueh CL, Rabe KM. Enhanced polarization in strained BaTiO3 from first principles Materials Research Society Symposium - Proceedings. 718: 311-316.  1
2001 Godlevsky VV, Rabe KM. Soft tetragonal distortions in ferromagnetic Ni2MnGa and related materials from first principles Physical Review B - Condensed Matter and Materials Physics. 63: 1344071-1344075.  1
2000 Cockayne E, Rabe KM. Pressure dependence of instabilities in perovskite PbZrO3 Journal of Physics and Chemistry of Solids. 61: 305-308.  1
2000 Rabe KM, Ghosez P. Ferroelectricity in PbTiO3 thin films: a first principles approach Journal of Electroceramics. 4: 379-383.  1
2000 Ghosez P, Rabe KM. Microscopic model of ferroelectricity in stress-free PbTiO3 ultrathin films Applied Physics Letters. 76: 2767-2769.  1
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  1
1999 Hill NA, Rabe KM. First principles investigation of multiferroism in perovskite manganites Materials Research Society Symposium - Proceedings. 574: 157-162.  1
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.  1
1999 Ravel B, Cockayne E, Newville M, Rabe KM. Combined EXAFS and first-principles theory study of Pb1-xGexTe Physical Review B - Condensed Matter and Materials Physics. 60: 14632-14642.  1
1999 Ghosez P, Cockayne E, Waghmare UV, Rabe KM. Lattice dynamics of BaTiO3, PbTiO3, and PbZrO3: A comparative first-principles study Physical Review B - Condensed Matter and Materials Physics. 60: 836-843.  1
1999 Ravel B, Cockayne E, Rabe KM. The local structure of ferroelectric Pb1-xGexTe Journal of Synchrotron Radiation. 6: 567-569.  1
1998 Rabe KM, Citrin PH. Vacancy-induced structural relaxations in Yb2.75C60 Physical Review B - Condensed Matter and Materials Physics. 58.  1
1998 Cockayne E, Rabe KM. Enhancement of piezoelectricity in a mixed ferroelectric Physical Review B - Condensed Matter and Materials Physics. 57.  1
1997 Rabe KM, Waghmare UV. Strain coupling in perovskite structural transitions: A first principles approach Ferroelectrics. 194: 119-134.  1
1997 Waghmare UV, Rabe KM. Lattice instabilities, anharmonicity and phase transitions in PbZrO3 from first principles Ferroelectrics. 194: 135-147.  1
1997 Cockayne E, Rabe KM. Ab initio study of the ferroelectric transition in cubic Pb3GeTe4 Physical Review B - Condensed Matter and Materials Physics. 56: 7947-7961.  1
1997 Waghmare UV, Rabe KM. Ab initio statistical mechanics of the ferroelectric phase transition in PbTiO3 Physical Review B - Condensed Matter and Materials Physics. 55: 6161-6173.  1
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  1
1996 Rabe KM, Waghmare UV. Strain coupling in the PbTiO3 ferroelectric transition Philosophical Transactions of the Royal Society a: Mathematical, Physical and Engineering Sciences. 354: 2897-2914.  1
1996 Rabe KM, Waghmare UV. Lattice instabilities, anharmonicity and phase transitions in PbTiO3 and PbZrO3 Materials Research Society Symposium - Proceedings. 408: 305-307.  1
1996 Öǧüt S, Rabe KM. Anomalous effective charges and far-IR optical absorption of Al2 Ru from first principles Physical Review B - Condensed Matter and Materials Physics. 54.  1
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  1
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  1
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  1
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  1
1995 Rabe KM, Waghmare UV. Ferroelectric phase transitions: A first-principles approach Ferroelectrics. 164: 15-32. DOI: 10.1080/00150199508221827  1
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.  1
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  1
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  1
1994 Rabe KM, Waghmare UV. First-Principles Model Hamiltonians For Ferroelectric Phase Transitions Ferroelectrics. 151: 59-68. DOI: 10.1080/00150199408244723  1
1993 Rabe KM. Theory and Practice in the Prediction of New Materials Mrs Bulletin. 18: 31-37. DOI: 10.1557/S088376940004361X  1
1993 Kortan AR, Kopylov N, Fleming RM, Zhou O, Thiel FA, Haddon RC, Rabe KM. Novel A15 phase in barium-doped fullerite Physical Review B. 47: 13070-13073. DOI: 10.1103/PhysRevB.47.13070  1
1993 Rabe KM, Phillips JC, Vandenberg JM. Structures and phases of superconducting alkali-metal doped C60 Physical Review B. 47: 13067-13069. DOI: 10.1103/PhysRevB.47.13067  1
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  1
1993 Rabe KM, Phillips JC, Villars P. Quantum diagrams, structural models and the prediction of new quasicrystals Journal of Non-Crystalline Solids. 153: 530-535. DOI: 10.1016/0022-3093(93)90409-Q  1
1992 Phillips JC, Vandenberg JM, Rabe KM. Broken crystal symmetry and superconductivity in chevrel compounds Epl. 18: 349-354. DOI: 10.1209/0295-5075/18/4/012  1
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  1
1991 Phillips JC, Rabe KM. Transport Anomalies and Internal Structural Models of Stable Quasicrystals Physical Review Letters. 66: 923-925. DOI: 10.1103/PhysRevLett.66.923  1
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  1
1991 Rabe KM, Kortan AR, Phillips JC, Villars P. Quantum diagrams and the prediction of new ternary quasicrystals Physical Review B. 43: 6280-6283. DOI: 10.1103/PhysRevB.43.6280  1
1991 Rabe KM, Bhatt RN. Impurity states and magnetic order in layered copper oxides (invited) Journal of Applied Physics. 69: 4508-4512. DOI: 10.1063/1.348342  1
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  1
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  1
1988 Millis AJ, Rabe KM. Superconductivity and lattice distortions in high-Tc superconductors Physical Review B. 38: 8908-8919. DOI: 10.1103/PhysRevB.38.8908  1
1988 Cava RJ, Batlogg B, Rabe KM, Rietman EA, Gallagher PK, Rupp LW. Structural anomalies at the disappearance of superconductivity in Ba2YCu3O7-δ: Evidence for charge transfer from chains to planes Physica C: Superconductivity and Its Applications. 156: 523-527. DOI: 10.1016/0921-4534(88)90015-9  1
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  1
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  1
1987 Rabe KM, Joannopoulos JD. Structural properties of GeTe at T=0 Physical Review B. 36: 3319-3324. DOI: 10.1103/PhysRevB.36.3319  1
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  1
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