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Raman study of oxygen reduced and re-oxidized strontium titanate

Physical review. B, Condensed matter and materials physics, 2007-07, Vol.76 (2), Article 024303

2007

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Tunability of High-Dielectric-Constant Materials from First Principles

MRS proceedings, 2002, Vol.718, Article D8.3

Rabe, K. M.

2002

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Coexistence of antiferrodistortive and ferroelectric distortions at the PbTiO3 (001) surface

Physical review. B, Condensed matter and materials physics, 2005, Vol.71 (3), p.035420.1-035420.9

2005

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Localized basis for effective lattice Hamiltonians: Lattice Wannier functions

Physical review. B, Condensed matter, 1995-11, Vol.52 (18), p.13236-13246

1995

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Ferroelectric transition in YMnO3 from first principles

Physical review. B, Condensed matter and materials physics, 2005-09, Vol.72 (10), p.100103.1-100103.4

2005

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Strong spin-phonon coupling in infrared and Raman spectra of SrMnO 3

Physical review. B, Condensed matter and materials physics, 2014-02, Vol.89 (6), Article 064308

2014

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Optimized pseudopotentials

Physical review. B, Condensed matter, 1990-01, Vol.41 (2), p.1227-1230

1990

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First-principles study of epitaxial strain in perovskites

Physical review. B, Condensed matter and materials physics, 2005-10, Vol.72 (14), p.144101.1-144101.9, Article 144101

2005

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First-principles theory of ferroelectric phase transitions for perovskites: The case of BaTiO3

Physical review. B, Condensed matter, 1995-09, Vol.52 (9), p.6301-6312

1995

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Theory of the structural phase transition of GeTe

Physical review. B, Condensed matter, 1987-10, Vol.36 (12), p.6631-6639

1987

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Coexistence of antiferrodistortive and ferroelectric distortions at the PbTiO 3 ( 001 ) surface

Physical review. B, Condensed matter and materials physics, 2005-01, Vol.71 (3), Article 035420

2005

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Metric tensor formulation of strain in density-functional perturbation theory

Physical review. B, Condensed matter and materials physics, 2005-01, Vol.71 (3), p.035117.1-035117.13, Article 035117

2005

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Band gap and stability in the ternary intermetallic compounds NiSnM (M=Ti,Zr,Hf): A first-principles study

Physical review. B, Condensed matter, 1995-04, Vol.51 (16), p.10443-10453

1995

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Superconductivity and lattice distortions in high-Tc superconductors

Physical review. B, Condensed matter, 1988-11, Vol.38 (13), p.8908-8919

1988

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Ab initio relativistic pseudopotential study of the zero-temperature structural properties of SnTe and PbTe

Physical review. B, Condensed matter, 1985-08, Vol.32 (4), p.2302-2314

1985

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Spin-lattice coupling and phonon dispersion of CdCr 2 O 4 from first principles

Physical review. B, Condensed matter and materials physics, 2012-11, Vol.86 (18), Article 184429

2012

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Spin-lattice coupling and phonon dispersion of CdCr sub(2) O sub(4) from first principles

Physical review. B, Condensed matter and materials physics, 2012-11, Vol.86 (18)

2012

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Structural properties of GeTe at T=0

Physical review. B, Condensed matter, 1987-08, Vol.36 (6), p.3319-3324

1987

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Multiferroic BiFeO 3 -BiMnO 3 nanoscale checkerboard from first principles

Physical review. B, Condensed matter and materials physics, 2010-08, Vol.82 (7), Article 075432

2010

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Modeling the dependence of properties of ferroelectric thin film on thickness

Physical review. B, Condensed matter and materials physics, 2007-07, Vol.76 (1), Article 014112

2007

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Ab initio study of the phase diagram of epitaxial BaTiO3

Physical review. B, Condensed matter and materials physics, 2004-06, Vol.69 (21), p.212101.1-212101.4

2004

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Structures and phases of superconducting alkali-metal doped C60

Physical review. B, Condensed matter, 1993-05, Vol.47 (19), p.13067-13069

1993

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First-principles investigation of ferromagnetism and ferroelectricity in bismuth manganite

Physical review. B, Condensed matter, 1999-04, Vol.59 (13), p.8759-8769

1999

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Strong spin-phonon coupling in infrared and Raman spectra of SrMnO sub(3)

Physical review. B, Condensed matter and materials physics, 2014-02, Vol.89 (6)

2014

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Fcc breathing instability in BaBiO 3 from first principles

Physical review. B, Condensed matter and materials physics, 2006-06, Vol.73 (21), Article 212106

2006

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Raman study of oxygen reduced and re-oxidized strontium titanate

Tunability of High-Dielectric-Constant Materials from First Principles

Coexistence of antiferrodistortive and ferroelectric distortions at the PbTiO3 (001) surface

Localized basis for effective lattice Hamiltonians: Lattice Wannier functions

Ferroelectric transition in YMnO3 from first principles

Strong spin-phonon coupling in infrared and Raman spectra of SrMnO 3

Optimized pseudopotentials

First-principles study of epitaxial strain in perovskites

First-principles theory of ferroelectric phase transitions for perovskites: The case of BaTiO3

Theory of the structural phase transition of GeTe

Coexistence of antiferrodistortive and ferroelectric distortions at the PbTiO 3 ( 001 ) surface

Metric tensor formulation of strain in density-functional perturbation theory

Band gap and stability in the ternary intermetallic compounds NiSnM (M=Ti,Zr,Hf): A first-principles study

Superconductivity and lattice distortions in high-Tc superconductors

Ab initio relativistic pseudopotential study of the zero-temperature structural properties of SnTe and PbTe

Spin-lattice coupling and phonon dispersion of CdCr 2 O 4 from first principles

Spin-lattice coupling and phonon dispersion of CdCr sub(2) O sub(4) from first principles

Structural properties of GeTe at T=0

Multiferroic BiFeO 3 -BiMnO 3 nanoscale checkerboard from first principles

Modeling the dependence of properties of ferroelectric thin film on thickness

Ab initio study of the phase diagram of epitaxial BaTiO3

Structures and phases of superconducting alkali-metal doped C60

First-principles investigation of ferromagnetism and ferroelectricity in bismuth manganite

Strong spin-phonon coupling in infrared and Raman spectra of SrMnO sub(3)

Fcc breathing instability in BaBiO 3 from first principles

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