Karin M. Rabe

Q: What Schools Are Affiliated With Karin M. Rabe

Karin M. Rabe is affiliated with the following schools: University of California, Berkeley, Yale University, Rutgers University, University of Valencia, Pennsylvania State University, Massachusetts Institute of Technology, University of Puerto Rico, Cornell University, University of Geneva

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Karin M. Rabe

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Physics

Karin M. Rabe's Degrees

PhD Physics Cornell University
Bachelors Physics University of California, Berkeley

Why Is Karin M. Rabe Influential?

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According to Wikipedia, Karin M. Rabe is an American condensed matter and computational materials physicist known for her studies of materials near phase transitions, including ferroelectrics, multiferroics, and martensites. She also works on the theoretical design of new materials. She is a distinguished professor and Board of Governors Professor of Physics at Rutgers University.

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Karin M. Rabe's Published Works

Number of citations in a given year to any of this author's works

Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author

Published Works

Epitaxial BiFeO3 Multiferroic Thin Film Heterostructures (2003) (5040)
Physics of thin-film ferroelectric oxides (2005) (1702)
First-principles study of spontaneous polarization in multiferroic BiFeO 3 (2004) (992)
Pseudopotentials for high-throughput DFT calculations (2013) (893)
Strain Tuning of Ferroelectric Thin Films (2007) (874)
Structural anomalies, oxygen ordering and superconductivity in oxygen deficient Ba2YCu3Ox (1990) (848)
Ferroelectricity at the Nanoscale: Local Polarization in Oxide Thin Films and Heterostructures (2004) (765)
Physics of ferroelectrics : a modern perspective (2007) (581)
A strong ferroelectric ferromagnet created by means of spin–lattice coupling (2010) (490)
Phenomenological thermodynamic potential for CaTiO3 single crystals (2005) (390)
Crystal structures and shape-memory behaviour of NiTi (2003) (299)
FIRST-PRINCIPLES INVESTIGATION OF FERROMAGNETISM AND FERROELECTRICITY IN BISMUTH MANGANITE (1998) (288)
Probing Nanoscale Ferroelectricity by Ultraviolet Raman Spectroscopy (2006) (277)
Theory of polarization enhancement in epitaxial BaTiO3/SrTiO3 superlattices (2002) (269)
Correlated metals as transparent conductors. (2016) (244)
Magnetic and electric phase control in epitaxial EuTiO(3) from first principles. (2006) (240)
Metric tensor formulation of strain in density-functional perturbation theory (2004) (225)
Epitaxial-strain-induced multiferroicity in SrMnO3 from first principles. (2009) (218)
First-principles study of epitaxial strain in perovskites (2005) (211)
Epitaxial BiFeO 3 Multiferroic Thin Film Heterostructures (2019) (201)
Structural anomalies at the disappearance of superconductivity in Ba2YCu3O7−δ: Evidence for charge transfer from chains to planes (1988) (198)
Ab initio statistical mechanics of the ferroelectric phase transition in PbTiO 3 (1996) (197)
Microscopic model of ferroelectricity in stress-free PbTiO3 ultrathin films (1999) (178)
LATTICE DYNAMICS OF BATIO3, PBTIO3, AND PBZRO3 : A COMPARATIVE FIRST-PRINCIPLES STUDY (1999) (175)
Ab initio study of the phase diagram of epitaxial BaTiO 3 (2004) (170)
Lead-free antiferroelectric: xCaZrO3-(1 -x)NaNbO3 system (0 ≤x≤ 0.10). (2015) (160)
First-principles study of spontaneous polarization in multiferroic BiFeO3 (2005) (156)
Tunability of the dielectric response of epitaxially strained SrTiO3 from first principles (2004) (154)
Unusual behavior of the ferroelectric polarization in PbTiO3/SrTiO3 superlattices. (2005) (147)
Antiferroelectricity in thin-film ZrO2 from first principles (2014) (146)
Modern Physics of Ferroelectrics: Essential Background (2007) (138)
First-principles study of lattice instabilities in ferromagnetic Ni2MnGa (2003) (138)
Structural, electronic, and magnetic properties of SrRuO3 under epitaxial strain (2006) (135)
Suppressed dependence of polarization on epitaxial strain in highly polar ferroelectrics. (2007) (134)
Half-Heusler semiconductors as piezoelectrics. (2011) (129)
The ferroelectric transition in YMnO$_3$ from first principles (2005) (127)
A strong ferroelectric ferromagnet created by means of spin-lattice coupling. (2011) (121)
Perovskite nickelates as electric-field sensors in salt water (2017) (114)
Anomalous vibrational effects in nonmagnetic and magnetic Heusler alloys (2005) (113)
Theory of structural response to macroscopic electric fields in ferroelectric systems (2002) (104)
Scaling of structure and electrical properties in ultrathin epitaxial ferroelectric heterostructures (2006) (101)
First-principles study of symmetry lowering and polarization in BaTiO3/SrTiO3 superlattices with in-plane expansion (2005) (101)
Soft tetragonal distortions in ferromagnetic Ni 2 MnGa and related materials from first principles (2000) (100)
Antiferroelectricity in Oxides: A Reexamination (2013) (98)
Polarization enhancement in two- and three-component ferroelectric superlattices (2005) (91)
The joint automated repository for various integrated simulations (JARVIS) for data-driven materials design (2020) (90)
Anomalous enhancement of tetragonality in PbTiO3 induced by negative pressure (2003) (82)
Superconductivity and cation-vacancy ordering in the rare-earth fulleride Yb2.75C60 (1995) (81)
Structural evidence for enhanced polarization in a commensurate short-period BaTiO3∕SrTiO3 superlattice (2006) (79)
Nanoscale smoothing and the analysis of interfacial charge and dipolar densities (2005) (78)
Kinetically stabilized ferroelectricity in bulk single-crystalline HfO2:Y (2020) (76)
e∕a dependence of the lattice instability of cubic Heusler alloys from first principles (2006) (73)
Hexagonal ABC semiconductors as ferroelectrics. (2012) (72)
Physics of Ferroelectrics (2007) (72)
Alkaline earth stannates: The next silicon? (2015) (69)
Habituation based synaptic plasticity and organismic learning in a quantum perovskite (2017) (68)
Strong coupling of Jahn-Teller distortion to oxygen-octahedron rotation and functional properties in epitaxially strained orthorhombic LaMnO3 (2013) (67)
Raman Study of Oxygen Reduced and Re-Oxidized Strontium Titanate (2007) (67)
Manipulating magnetic properties of SrRuO3 and CaRuO3 with epitaxial and uniaxial strains (2008) (66)
Lattice instabilities of cubic NiTi from first principles (2001) (62)
First-Principles Studies of Ferroelectric Oxides (2007) (61)
Epitaxially strained [001]-(PbTiO$_3$)$_1$(PbZrO$_3$)$_1$ superlattice and PbTiO$_3$ from first principles (2003) (60)
Reversal of the lattice structure in SrCoO(x) epitaxial thin films studied by real-time optical spectroscopy and first-principles calculations. (2013) (60)
Coupled magnetic-ferroelectric metal-insulator transition in epitaxially strained SrCoO3 from first principles. (2011) (60)
Artificial two-dimensional polar metal at room temperature (2018) (54)
Hyperferroelectrics: proper ferroelectrics with persistent polarization. (2013) (54)
JARVIS: An Integrated Infrastructure for Data-driven Materials Design (2020) (53)
Predicting polarization enhancement in multicomponent ferroelectric superlattices (2005) (53)
Coexistence of antiferrodistortive and ferroelectric distortions at thePbTiO3(001)surface (2004) (52)
Carrier localization in perovskite nickelates from oxygen vacancies (2019) (52)
Strain-induced ferroelectricity in orthorhombic CaTiO3 from first principles (2009) (50)
Ideal barriers to polarization reversal and domain-wall motion in strained ferroelectric thin films (2008) (47)
Antiferroelectricity and ferroelectricity in epitaxially strained PbZrO 3 from first principles (2013) (46)
Interfacial enhancement of ferroelectricity in CaTiO 3 /BaTiO 3 superlattices (2010) (46)
Theoretical investigations of epitaxial strain effects in ferroelectric oxide thin films and superlattices (2005) (46)
Strongly correlated perovskite lithium ion shuttles (2018) (46)
Orthorhombic ABC semiconductors as antiferroelectrics. (2012) (46)
Systematic beyond-DFT study of binary transition metal oxides (2019) (44)
Integration of first-principles methods and crystallographic database searches for new ferroelectrics: Strategies and explorations (2012) (42)
Polar and phase domain walls with conducting interfacial states in a Weyl semimetal MoTe2 (2019) (42)
Polar phonons and intrinsic dielectric response of the ferromagnetic insulating spinel Cd Cr 2 S 4 from first principles (2005) (41)
Dynamic local distortions in KNbO3 (1999) (41)
Picoscale materials engineering (2017) (40)
Quantitative analysis of the first-principles effective-Hamiltonian approach to ferroelectric perovskites (2002) (37)
Ab initio Study of the Phase Diagram of Epitaxial BaTiO3 (2004) (37)
Lattice Instabilities, Anharmonicity & Phase Transitions in PbZrO3 from first principles (1996) (36)
Strong spin-phonon coupling in infrared and Raman spectra of SrMnO3 (2014) (34)
Large spin-phonon coupling and magnetically induced phonon anisotropy in SrMO 3 perovskites (M=V,Cr,Mn,Fe,Co) (2011) (33)
Polarization enhancement in short period superlattices via interfacial intermixing (2007) (32)
Predicting polarization and nonlinear dielectric response of arbitrary perovskite superlattice sequences. (2008) (32)
Magnetically induced phonon anisotropy in ZnCr2O4 from first principles. (2006) (32)
Ferroelectric phase transitions from first principles (1995) (31)
Structural and dielectric properties of Sr$_{2}$TiO$_{4}$ from first principles (2003) (29)
The 2019 (2019) (29)
First-Principles Calculations of Complex Metal-Oxide Materials (2010) (28)
First-principles thermodynamics of transition metals: W, NiAl, and PdTi (2003) (28)
Wannier-based definition of layer polarizations in perovskite superlattices. (2006) (28)
First-principles study of the structural energetics of PdTi and PtTi (2002) (28)
Lattice instabilities of PbZrO3/PbTiO3 [1:1] superlattices from first principles (2002) (27)
Enhancing piezoelectricity through polarization-strain coupling in ferroelectric superlattices (2009) (26)
Ferroelectric phase transitions: A first-principles approach (1995) (25)
Modeling the dependence of properties of ferroelectric thin film on thickness (2007) (25)
Phase transitions in BaTiO 3 from first principles (1994) (25)
Surface polarization and edge charges (2015) (24)
Ferroelectricity in the Dion-Jacobson CsBiNb2O7 from first principles (2006) (24)
Phonon anomalies and elastic constants of cubic NiAl from first principles (2004) (24)
Combined EXAFS and first-principles theory study of Pb{sub 1-x}Ge{sub x}Te (1999) (24)
First-principles study of lattice instabilities in BaxSr1−xTiO3 (2000) (23)
Engineering Weyl Phases and Nonlinear Hall Effects in T_{d}-MoTe_{2}. (2020) (23)
Broadband dielectric spectroscopy of Ruddlesden–Popper Srn+1TinO3n+1 (n=1,2,3) thin films (2009) (23)
Stabilization of Competing Ferroelectric Phases of HfO_{2} under Epitaxial Strain. (2020) (23)
First-principles model hamiltonians for ferroelectric phase transitions (1992) (22)
Stabilization of Highly Polar BiFeO 3 -like Structure: A New Interface Design Route for Enhanced Ferroelectricity in Artificial Perovskite Superlattices (2015) (21)
Interfacial charge-transfer Mott state in iridate–nickelate superlattices (2019) (21)
First-principles investigation of ferroelectricity in epitaxially strained Pb 2 Ti O 4 (2005) (20)
Pressure dependence of instabilities in perovskite PbZrO3 (2000) (20)
Spin-lattice coupling and phonon dispersion of CdCr 2 O 4 from first principles (2012) (20)
Fcc breathing instability in BaBiO 3 from first principles (2005) (19)
Phonon-assisted optical absorption in BaSnO 3 from first principles (2017) (19)
Stabilizing hidden room-temperature ferroelectricity via a metastable atomic distortion pattern (2020) (19)
Antiferroelectric Topological Insulators in Orthorhombic AMgBi Compounds (A=Li, Na, K). (2017) (18)
Magnetostructural effect in the multiferroic BiFeO3-BiMnO3 checkerboard from first principles. (2009) (18)
Charge-Order-Induced Ferroelectricity in LaVO_{3}/SrVO_{3} Superlattices. (2016) (18)
Erratum: Metric tensor formulation of strain in density-functional perturbation theory [Phys. Rev. B 71, 035117 (2005)] (2005) (18)
Solid-state physics: Response with a twist (2007) (18)
Characterization and modeling of metal-insulator transition (MIT) based tunnel junctions (2012) (17)
Topics in Applied Physics: Preface (2007) (17)
Origin of antiphase domain boundaries and their effect on the dielectric constant of Ba0.5Sr0.5TiO3 films grown on MgO substrates (2002) (16)
Interplay of epitaxial strain and rotations in PbTiO3/PbZrO3 superlattices from first principles (2011) (15)
Impurity states and magnetic order in layered copper oxides (1991) (15)
Negative piezoelectric response of van der Waals layered bismuth tellurohalides (2019) (14)
Strain coupling in the PbTiO3 ferroelectric transition (1996) (14)
New life for the 'dead layer' (2006) (14)
Pb2MnTeO6 Double Perovskite: An Antipolar Anti-ferromagnet. (2016) (14)
Multiferroic BiFeO3-BiMnO3 nanoscale checkerboard from first principles (2010) (14)
Epitaxy, exfoliation, and strain-induced magnetism in rippled Heusler membranes (2021) (13)
ENHANCEMENT OF PIEZOELECTRICITY IN A MIXED FERROELECTRIC (1997) (13)
Generalized-gradient-functional treatment of strain in density-functional perturbation theory (2005) (13)
Coulomb interaction and ferroelectric phase transitions in perovskite compounds (1995) (12)
Ferroelectricity in PbTiO3 Thin Films: A First Principles Approach (2000) (12)
High-density electron doping of SmNiO3 from first principles (2017) (12)
Influence of magnetic ordering on the spectral properties of binary transition metal oxides (2019) (12)
Enhanced polarization in strained BaTiO$_3$ from first principles (2002) (12)
Dielectric Properties of Simple and Complex Oxides from First Principles (2005) (11)
Determination of ground-state and low-energy structures of perovskite superlattices from first principles (2014) (11)
Vibrational fingerprints of ferroelectric HfO2 (2022) (10)
Strain coupling in perovskite structural transitions: A first principles approach (1997) (10)
Think locally, act globally (2002) (10)
Domain formation and dielectric response in PbTiO$_3$: A first-principles free energy landscape analysis (2013) (9)
Ferroelectricity in [111]-oriented epitaxially strained SrTiO3 from first principles (2018) (9)
Polarization-controlled modulation doping of a ferroelectric from first principles (2017) (9)
Large spin-phonon coupling and magnetically induced phonon anisotropy in Sr M O 3 perovskites (2011) (8)
Temperature-dependent dielectric and piezoelectric response of ferroelectrics from first principles (1998) (8)
Coupled Nonpolar-Polar Metal-Insulator Transition in 1∶1 SrCrO(3)/SrTiO(3) Superlattices: A First-Principles Study. (2015) (8)
Ab initio statistical mechanics of structural phase transitions (1987) (7)
Epitaxial ferroelectric interfacial devices (2021) (7)
Neuromorphic learning with Mott insulator NiO (2021) (7)
Control of polymorphism during epitaxial growth of hyperferroelectric candidate LiZnSb on GaSb (111)B (2020) (7)
Chemical trends in high-Tc ferroelectricity and superconductivity (1992) (7)
Phase competition in HfO2 with applied electric field from first principles (2020) (7)
High-temperature phonon-mediated superconductivity in monolayer Mg2B4C2 (2021) (6)
First-principles study of symmetry lowering in relaxed BaTiO3/SrTiO3 superlattices (2004) (5)
Quantum diagrams and the prediction of new materials (1993) (5)
Strain-Induced Hybrid Improper Ferroelectricity in Simple Perovskites from First Principles (2013) (5)
Theory and Practice in the Prediction of New Materials (1993) (4)
Polarization switching mechanism in HfO$_2$ from first-principles lattice mode analysis (2021) (4)
Berry flux diagonalization: Application to electric polarization (2020) (4)
Effective Hamiltonian for the ferroelectric phase transitions in KNbO3 (1998) (4)
A pr 2 00 0 First-principles study of lattice instabilities in Ba x Sr 1 − x TiO 3 (2000) (4)
Ab initio study of the ferroelectric transition in cubic Pb 3 GeTe 4 (1997) (4)
First-principles bulk-layer model for dielectric and piezoelectric responses in superlattices (2018) (4)
Superlattice-induced ferroelectricity in charge-ordered La1/3Sr2/3FeO3 (2019) (4)
Epitaxial strain effects on magnetic ordering and spin-phonon couplings in the (SrMnO 3 ) 1 /(LaMnO 3 ) 1 superlattice from first principles (2013) (3)
Resonant band engineering of ferroelectric tunnel junctions (2021) (3)
Electronic correlation in nearly free electron metals with beyond-DFT methods (2021) (3)
Broken Crystal Symmetry and Superconductivity in Chevrel Compounds (1992) (2)
Configuration dependence of physical properties of a ferroelectric solid solution (1998) (2)
Computationally accelerated discovery of functional and structural Heusler materials (2022) (2)
Antiferroelectricity in ZrO$_2$ and related AXY compounds from first principles (2014) (2)
VACANCY-INDUCED STRUCTURAL RELAXATIONS IN YB2.75C60 (1998) (2)
"Double-path"ferroelectrics and the sign of the piezoelectric response (2022) (1)
Discovery and design of polar materials (2012) (1)
Publisher’s Note: Suppressed Dependence of Polarization on Epitaxial Strain in Highly Polar Ferroelectrics [Phys. Rev. Lett.98, 217602 (2007)] (2007) (1)
Lattice instabilities in cubic pyrochlore Bi$_2$Ti$_2$O$_7$ (2007) (1)
Electron-lattice coupling effects in polarization switching of charge-order-induced ferroelectrics (2021) (1)
Structural Stability of Vacancy-ordered Yb2.75C60 (1997) (1)
Publisher's Note:Ab initiostudy of the phase diagram of epitaxialBaTiO3[Phys. Rev. B69, 212101 (2004)] (2004) (1)
First-principles study of symmetry lowering in relaxed BaTiO$_3$/SrTiO$_3$ superlattices (2005) (1)
Lattice Instabilities of Perovskite Oxides from First Principles (2004) (1)
Perovskite Quantum Organismoids (2017) (1)
Ferroelectricity in CaTiO$_{3}$ Single Crystal Surfaces and Thin Films and Probed by Nonlinear Optics and Raman Spectroscopy (2011) (1)
Vortex-to-Polarization Phase Transformation in Pb ( ZrTi ) O 3 Nanoparticles (2007) (1)
Crystal structure, electronic and magnetic properties of SrRuO$_3$ under epitaxial strain (2006) (0)
Modulation doping in LaNiO 3 /SrIrO 3 superlattices from first principles (2018) (0)
Enhanced piezoelectricity in PbTiO$_{3}$/BaTiO$_{3}$ superlattices (2009) (0)
Spectral function database for correlated materials using beyond-DFT methods (2020) (0)
Polarization scaling in ultrathin epitaxial ferroelectric heterostructures: First-principles results (2005) (0)
An ab initio study of strained PZT films (2008) (0)
First Principles Investigation of Multiferroism in Perovskite Manganites (1999) (0)
Issues of Isolation and Community (1999) (0)
Novel Functionality in Switchable Polar Materials (2022) (0)
Searching for ferroelectricity and piezoelectricity in Heusler compounds using first-principles calculations (2011) (0)
Harnessing competition in artificially layered ferroelectric superlattices to engineer enhanced piezoelectrics (2011) (0)
Modeling Piezoelectricity in Improper Ferroelectrics (2012) (0)
First Principles Dielectric Slab Model for Dielectric and Piezoelectric Response in Superlattices (2018) (0)
Lattice dynamics and ferroelectric instability of PZT from first principles (2001) (0)
A pr 2 01 1 Coupled magnetic-ferroelectric metal-insulator transitions in epitaxially-strained SrCoO 3 from first principles (2011) (0)
Publisher’s Note: Stabilization of Highly Polar BiFeO 3 -Like Structure: A New Interface Design Route for Enhanced Ferroelectricity in Artificial Perovskite Superlattices [Phys. Rev. X 6 , 011027 (2016)] (2016) (0)
Ideal nanocheckerboard BiFeO3-BiMnO3 from first principles (2008) (0)
Ab Initio Study of the Ferroelectric Transition in Pb_1-xGe_xTe (1996) (0)
Ferroelectricity and magnetism in the hexagonal manganite YMnO$_3$ from first principles (2005) (0)
First-principles study of charge-order-driven ferroelectricity in LaVO$_3$/SrVO$_3$ superlattices (2016) (0)
Anomalous enhancement of tetragonality by negative pressure in PbTiO_3 (2003) (0)
Precise tuning of the built-in bias in PbTiO$_{3}$ based superlattice thin films. (2017) (0)
First Principles Study of Piezoelectricty in Improper Ferroelectrics (2012) (0)
First-principles-based modeling of epitaxial-strain-induced ferroelectricity in CaTiO$_3$ (2013) (0)
Electrostatics of superlattices by first principles (2006) (0)
Lattice Instabilities, Anharmonicity and Phase Transitions in PbTiO 3 and PbZrO 3 (1995) (0)
First-order metal-insulator transitions in vanadates from first principles (2013) (0)
Phase transitions and magnetostructural coupling in ZnCr$_2$O$_4$ from first principles (2009) (0)
Magnetoelectric Phase Control in Epitaxial Oxides from First Principles (2007) (0)
Vibrational fingerprints of ferroelectric hafnia (2022) (0)
A Microscopic Model of Ferroelectricity in PbTiO3 Ultra Thin Films (2001) (0)
UV Raman study of ferroelectric BaTiO3/SrTiO3 superlattices (2005) (0)
Vibrational fingerprints of ferroelectric HfO2 (2022) (0)
Tunability of High-Dielectric-Constant Materials from First Principles (2002) (0)
Non-linear optical probing of strain-enabled ferroelectricity in CaTiO 3 thin films (2010) (0)
Abstract Submitted for the MAR06 Meeting of The American Physical Society Phonon anisotropy in ZnCr2O4 from first principles (2012) (0)
Competing phases of HfO 2 in applied electric field: A first principles insight (2019) (0)
High-mobility ferroelectrics from first principles (2018) (0)
"Fraternal-twin" ferroelectricity: competing polar states in hydrogen-doped samarium nickelate from first principles (2020) (0)
Interfacial Intermixing in Ferroelectric Superlattices from First Principles (2007) (0)
High-carrier-density phase in LaTiO$_{3}$/SrTiO$_{3}$ superlattices (2015) (0)
Abstract Submitted for the MAR06 Meeting of The American Physical Society Phonon anisotropy in ZnCr2O4 from first principles (2012) (0)
A question of firsts (2013) (0)
Plenary Talk II (2015) (0)
Phase stability and optical properties of Y-doped HfO 2 from first principles (2018) (0)
Ideal Nanocheckerboard $BiFeO_3-BiMnO_3$ from First Principles (2009) (0)
Efficient Computation of Spontaneous Polarization Using Wannier Center Displacements (2017) (0)
Ferroelectric instabilities in CaTiO3 nanoparticles from first principles (2007) (0)
Ultrathin epitaxial ferroelectric heterostructures (2005) (0)
First Principles Study of (111)-Epitaxially Strained Multiferroic Perovskites (2018) (0)
Investigation of the lattice dielectric properties of layered ferroelectrics (2004) (0)
Coupling of lattice distortions to bands near the Fermi level in ABC compounds from first principles (2019) (0)
Nanocheckerboard From First Principles (2010) (0)
Electric-field-switchable modulation doping in a ferrroelectric-semiconductor heterostructure (2017) (0)
Evolution of Weyl fermions along the polarity reversal paths in MoTe 2 (2019) (0)
Interfacial Mott state in iridate-nickelate superlattices (2019) (0)
Towards an understanding of antiferroelectricity in PbZrO$_3$ from first principles (2016) (0)
TWENTIETH ANNUAL SYMPOSIUM LABORATORY FOR SURFACE MODIFICATION (2006) (0)
The Age of Exploration: Materials Discovery in the Virtual World (2015) (0)
First-principles modeling of piezoelectric response of perovskite superlattices: the case of BaTiO$_3$/CaTiO$_3$ (2014) (0)
Distortions in charge-ordered LuFe$_2$O$_4$ (2007) (0)
Cyclic Ferroelectric Switching and Quantized Charge Transport in CuInP$_2$S$_6$ (2023) (0)
Lattice dynamics and magnetic exchange interactions in GeCo2O4 : A spinel with S=12 pyrochlore lattice (2020) (0)
First-principles study of ferroelectric charge-disproportionated phases in the cation-ordered La 1/3 Sr 2/3 FeO 3 (2018) (0)
\emph{Ab initio} polarization calculations for large systems using a Wannier center method (2010) (0)
Doping and interfaces in complex oxide heterostructures and superlattices from first principles (2018) (0)
Artificial two-dimensional ferroelectric metal at room temperature (2020) (0)
First-principles study of spin-lattice and spin-phonon couplings in SrMnO$_3$/LaMnO$_3$ superlattice (2013) (0)
Interplay of orbital selectivity and local environment in correlated materials: the case of metal-insulator transition in CaFeO 3 (2020) (0)
Strategic Search for Potential Quaternary Representatives of the Newest Record Tc Intermetallic Superconductor (Tc = 23K) Belonging to the New Structure Type B2CLuNi2 (1996) (0)
Near-Fermi-level electronic states in hexagonal ABC compounds from first principles (2020) (0)
Dynamic Local Distortions in Ferroelectrics (1997) (0)
The local structure of ferroelectric Pb1-xGexTe. (1999) (0)
Effect of Pt vacancies on magnetotransport of Weyl semimetal candidate GdPtSb epitaxial films (2023) (0)
Controlling ferroelectric hysteresis offsets in PbTiO$_{3}$ based superlattices (2020) (0)
Is YMnO$_3$ an improper ferroelectric? (2005) (0)
Ferroelectricity and multiferroicity in the Dion-Jacobson compounds A BiNb 2 O 7 , A = Cs , ( MnCl ) , from first principles (0)
J un 2 00 3 Anomalous enhancement of tetragonality in PbTiO 3 induced by negative pressure (2008) (0)
Modelling Thickness-Dependence of Ferroelectric Thin Film Properties (2007) (0)
Electron-lattice coupling effects in nonadiabatic polarization switching of charge-order-induced ferroelectrics (2021) (0)
Superlattice-induced ferroelectricity in charge-ordered La 1 / 3 Sr 2 / 3 FeO 3 (2019) (0)
Coupling between oxygen octahedron rotations, Jahn-Teller distortion, magnetic ordering and epitaxial strain in LaMnO3 from first principles (2011) (0)
Highly polar phase stabilized at interface of perovskite superlattice designed by oxygen octahedron rotation reconstruction (2015) (0)
First-principles calculations of epitaxially strained PbZrO$_3$: Coexistence of antiferroelectricity and ferroelectricity (2013) (0)
Johnston, Karen and Huang, Xiangyang and Neaton, Jeffrey B. and Rabe, Karin M. (2005) First-principles study of symmetry lowering and polarization in BaTiO3/SrTiO3 superlattices with in-plane expansion. Physical Review B: Condensed Matter and Materials (2018) (0)
Nanosession: Multiferroics - High Transition Temperatures (2013) (0)
A pr 1 99 8 Configuration Dependence of Physical Properties of a Ferroelectric Solid Solution 1 (1998) (0)
Interatomic force constants and effective Hamiltonians for structural phase transitions (2011) (0)
2012 Aspen Winter Conference New Paradigms for Low-Dimensional Electronic Materials, February 5-10, 2012 (2012) (0)
Strained enabled Ferroelectricity in CaTiO$_{3}$ Thin Films Probed by Nonlinear Optics and Scanning Probe Microscopy (2009) (0)
First-principles determination of low-energy structures in epitaxially-strained perovskite SrMnO$_{3}$ (2016) (0)
Unusual Behavior of the Ferroelectric Polarization in PbTiO 3 / SrTiO 3 Superlattices DAWBER (2017) (0)
A ug 1 99 6 ab initio statistical mechanics of the ferroelectric phase transition in PbT iO 3 (1996) (0)
First principles study of magnetostructural instabilities in magnetic perovskite oxides (2009) (0)
Structural instability of cubic perovskite BaBiO_3 (2005) (0)
Habituation based synaptic plasticity and organismic learning in a quantum perovskite (2017) (0)
Structural, ferroelectric, and magnetic properties of epitaxial YMnO$_{3}$ thin films grown on wurtzite-structure materials (2006) (0)
Determination of ground-state structure of perovskite super- lattices from first principles (2014) (0)
The search for multifunctional polar materials (2011) (0)
Compatible treatment of Berry-phase polarization and electric-field linear response (2001) (0)
Epitaxial-strain-induced insulating phase in 1:1 SrCrO$_3$/SrTiO$_3$ superlattices: A first-principles study (2015) (0)
Fantastic Metastable States and Where to Find Them: A Computational Search for Superlattices with Enhanced Functional Properties (2019) (0)
Charge transfer in iridate-nickelate superlattices (2020) (0)
David Adler Lectureship Award Talk: Lattice instabilities and ferroelectricity in complex oxides (2008) (0)
Vortex interactions and formation of vortex networks in hexagonal YMnO$_3$ (2013) (0)
Quantum diagrams, structural models and the prediction of new quasicrystals (1993) (0)
Novel interface effect in CaTiO$_3$/BaTiO$_3$ superlattices (2010) (0)
Artificial two-dimensional polar metal at room temperature (2018) (0)
Metric Tensor Formulation of the Strain Perturbation (2004) (0)
Polar and Phase Domain Walls in Weyl Semimetallic MoTe 2 : New Paradigm for Topological Interfacial States (2020) (0)
First-principles study of the structural and magnetic phase transition in CdCr$_2$O$_4$ (2012) (0)
Head-to-head comparison of spectral properties of transition-metal oxides using DFT andbeyond-DFT methods (2019) (0)
Reversal of lattice, electronic structure, and magnetism in epitaxial SrCoO$_{x}$ thin films (2014) (0)
Tuning the conductivity of LaMnO$_{3}$/SrTiO$_{3}$ superlattices by stacking (2013) (0)
Predicting Properties of Solids at Finite Temperatures (1988) (0)
Electronic structure and magnetism of SrRuO3 under epitaxial strain (0)
Enhanced polarization in strained BaTiO_3/SrTiO 3 superlattices from first principles (2002) (0)
Abstract Submitted for the MAR16 Meeting of The American Physical Society First-principles study of charge-order-driven ferroelectricity in LaVO3/SrVO3 superlattices (2016) (0)
STRATEGIC SEARCH FOR NARY REPRESENTATIVES POTENTIAL OF THE QUATER-NEWEST RECORD Te INTERMETALLIC SUPERCONDUCTOR ( T e = 23 K ) BELONGING TO THE NEW STRUCTURE TYPE B 2 CLuNI 2 (0)
Structure and properties of CaMnO$_3$/SrMnO$_3$/BaMnO$_3$ superlattices from first principles (2008) (0)
Ferroelectricity and tetragonality in perosvkite ultrathin films (2004) (0)
Think locally, act globally New first-principles calculations reveal the range of atomic arrangements underlying the average crystallographic structure of a perovskite oxide, PZT. This work opens the door to understanding the exceptional physical behaviour of PZT and (2002) (0)
First-principles calculations on size effects in epitaxial ferroelectric heterostructures (2005) (0)

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