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Probing Nanoscale Ferroelectricity by Ultraviolet Raman Spectroscopy

Science (American Association for the Advancement of Science), 2006-09, Vol.313 (5793), p.1614-1616

2006

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Anomalous vibrational effects in nonmagnetic and magnetic heusler alloys

Physical review. B, Condensed matter and materials physics, 2005-08, Vol.72 (5), p.054113.1-054113.8, Article 054113

2005

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Predicting polarization enhancement in multicomponent ferroelectric superlattices

Physical review. B, Condensed matter and materials physics, 2006-02, Vol.73 (6), Article 060101

2006

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Crystal structures and shape-memory behaviour of NiTi

Nature materials, 2003-05, Vol.2 (5), p.307-311

2003

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First-principles bulk-layer model for dielectric and piezoelectric responses in superlattices

Physical review. B, 2019-03, Vol.99 (10), p.104107, Article 104107

2019

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Lattice dynamics of BaTiO3, PbTiO3, and PbZrO3: A comparative first-principles study

1999

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Strain Tuning of Ferroelectric Thin Films

Annual review of materials research, 2007-01, Vol.37 (1), p.589-626

2007

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Ferroelectricity in PbTiO3 Thin Films: A First Principles Approach

Journal of electroceramics, 2000-06, Vol.4 (2-3), p.379-383

2000

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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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Quantum diagrams and the prediction of new materials

Journal of alloys and compounds, 1993-06, Vol.197 (2), p.131-135

Rabe, K.M.

1993

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Strain coupling in perovskite structural transitions: A first principles approach

Ferroelectrics, 1997-01, Vol.194 (1), p.119-134

1997

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Theory and Practice in the Prediction of New Materials

MRS bulletin, 1993-02, Vol.18 (2), p.31-37

Rabe, K.M.

1993

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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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Lattice instabilities, anharmonicity and phase transitions in PbZrO3 from first principles

Ferroelectrics, 1997-01, Vol.194 (1), p.135-147

1997

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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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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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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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Phonon anomalies and elastic constants of cubic NiAl from first principles

Physical review. B, Condensed matter and materials physics, 2004-08, Vol.70 (6), p.064301.1-064301.7, Article 064301

2004

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Theory of structural response to macroscopic electric fields in ferroelectric systems

Physical review. B, Condensed matter, 2002-09, Vol.66 (10), Article 104108

2002

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First-principles thermodynamics of transition metals: W, NiAl, and PdTi

Physical review. B, Condensed matter, 2003-12, Vol.68 (21), Article 214104

2003

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Probing Nanoscale Ferroelectricity by Ultraviolet Raman Spectroscopy

Anomalous vibrational effects in nonmagnetic and magnetic heusler alloys

Predicting polarization enhancement in multicomponent ferroelectric superlattices

Crystal structures and shape-memory behaviour of NiTi

First-principles bulk-layer model for dielectric and piezoelectric responses in superlattices

Lattice dynamics of BaTiO3, PbTiO3, and PbZrO3: A comparative first-principles study

Strain Tuning of Ferroelectric Thin Films

Ferroelectricity in PbTiO3 Thin Films: A First Principles Approach

Raman study of oxygen reduced and re-oxidized strontium titanate

Quantum diagrams and the prediction of new materials

Strain coupling in perovskite structural transitions: A first principles approach

Theory and Practice in the Prediction of New Materials

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

Lattice instabilities, anharmonicity and phase transitions in PbZrO3 from first principles

Localized basis for effective lattice Hamiltonians: Lattice Wannier functions

Ferroelectric transition in YMnO3 from first principles

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

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

Phonon anomalies and elastic constants of cubic NiAl from first principles

Theory of structural response to macroscopic electric fields in ferroelectric systems

First-principles thermodynamics of transition metals: W, NiAl, and PdTi

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