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Nonlinear optical susceptibilities, Raman efficiencies, and electro-optic tensors from first-principles density functional perturbation theory

Physical review. B, Condensed matter and materials physics, 2005-03, Vol.71 (12), p.125107.1-125107.14, Article 125107

2005

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Length scales of interfacial coupling between metal and insulator phases in oxides

Nature materials, 2020-11, Vol.19 (11), p.1182-1187

2020

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Raman and infrared spectra of multiferroic bismuth ferrite from first principles

Physical review. B, Condensed matter and materials physics, 2007-06, Vol.75 (22), Article 220102

2007

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Tailoring the Properties of Artificially Layered Ferroelectric Superlattices

Advanced materials (Weinheim), 2007-12, Vol.19 (23), p.4153-4159

2007

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Improper ferroelectricity and multiferroism in 2H-BaMnO3

2013-04

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Asymmetric dynamical charges in two-dimensional ferroelectrics

Physical review. B, 2024-07, Vol.110 (4), Article L041101

2024

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Interface Physics in Complex Oxide Heterostructures

Annual review of condensed matter physics, 2011-01, Vol.2 (1), p.141-165

2011

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Rationalizing and engineering Rashba spin-splitting in ferroelectric oxides

npj quantum materials, 2019-09, Vol.4 (1), Article 51

2019

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First-principles study of the dielectric and dynamical properties of lithium niobate

Physical review. B, Condensed matter, 2002-06, Vol.65 (21), Article 214302

2002

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First-principles model potentials for lattice-dynamical studies: general methodology and example of application to ferroic perovskite oxides

Journal of physics. Condensed matter, 2013-07, Vol.25 (30), p.305401-305401

2013

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Hybrid exchange-correlation functional for accurate prediction of the electronic and structural properties of ferroelectric oxides

Physical review. B, Condensed matter and materials physics, 2008-04, Vol.77 (16), Article 165107

2008

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Incipient ferroelectricity in 2.3% tensile-strained CaMnO3 films

2012-06

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Linear electro-optic effect in multiferroic BiFeO3 thin films

Physical review. B, Condensed matter and materials physics, 2014-05, Vol.89

2014

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Incommensurate Magnetic Order in Hole‐Doped Infinite‐Layer Nickelate Superconductors due to Competing Magnetic Interactions

Advanced functional materials, 2023-10, Vol.33 (44)

2023

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Hybrid functional study of prototypical multiferroic bismuth ferrite

Physical review. B, Condensed matter and materials physics, 2009-01, Vol.79 (1), Article 014403

2009

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First-principles study of barium titanate under hydrostatic pressure

Physical review. B, Condensed matter and materials physics, 2006-11, Vol.74 (18), Article 180101

2006

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

1999

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Raman scattering intensities in BaTiO3 and PbTiO3 prototypical ferroelectrics from density functional theory

Journal of physics. Condensed matter, 2009-05, Vol.21 (21), p.215901-215901 (10)

2009

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First-Principles Study of Ferroelectric Oxide Epitaxial Thin Films and Superlattices: Role of the Mechanical and Electrical Boundary Conditions

Journal of computational and theoretical nanoscience, 2008-11, Vol.5 (11), p.2071-2088

2008

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The origin of two-dimensional electron gases at oxide interfaces: insights from theory

Journal of physics. Condensed matter, 2014-04, Vol.26 (14), p.143201-143201

2014

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First-principles calculations of the nonlinear optical susceptibilities and Raman scattering spectra of lithium niobate

Journal of physics. Condensed matter, 2007-11, Vol.19 (45), p.456202-456202 (13)

2007

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First-principles study of filled and unfilled antimony skutterudites

Journal of physics. Condensed matter, 2007-03, Vol.19 (9), p.096002-096002 (19)

2007

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Multiferroics Coupling of three lattice instabilities

Nature materials, 2011-04, Vol.10 (4), p.269-270

2011

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Magnetism tailored by mechanical strain engineering in PrVO3 thin films

Physical review. B, 2019-06, Vol.99 (22), p.1

2019

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Lattice dynamics and Raman spectrum of BaZrO3 single crystals

Physical review. B, 2019-10, Vol.100 (13)

2019

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Nonlinear optical susceptibilities, Raman efficiencies, and electro-optic tensors from first-principles density functional perturbation theory

Length scales of interfacial coupling between metal and insulator phases in oxides

Raman and infrared spectra of multiferroic bismuth ferrite from first principles

Tailoring the Properties of Artificially Layered Ferroelectric Superlattices

Improper ferroelectricity and multiferroism in 2H-BaMnO3

Asymmetric dynamical charges in two-dimensional ferroelectrics

Interface Physics in Complex Oxide Heterostructures

Rationalizing and engineering Rashba spin-splitting in ferroelectric oxides

First-principles study of the dielectric and dynamical properties of lithium niobate

First-principles model potentials for lattice-dynamical studies: general methodology and example of application to ferroic perovskite oxides

Hybrid exchange-correlation functional for accurate prediction of the electronic and structural properties of ferroelectric oxides

Incipient ferroelectricity in 2.3% tensile-strained CaMnO3 films

Linear electro-optic effect in multiferroic BiFeO3 thin films

Incommensurate Magnetic Order in Hole‐Doped Infinite‐Layer Nickelate Superconductors due to Competing Magnetic Interactions

Hybrid functional study of prototypical multiferroic bismuth ferrite

First-principles study of barium titanate under hydrostatic pressure

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

Raman scattering intensities in BaTiO3 and PbTiO3 prototypical ferroelectrics from density functional theory

First-Principles Study of Ferroelectric Oxide Epitaxial Thin Films and Superlattices: Role of the Mechanical and Electrical Boundary Conditions

The origin of two-dimensional electron gases at oxide interfaces: insights from theory

First-principles calculations of the nonlinear optical susceptibilities and Raman scattering spectra of lithium niobate

First-principles study of filled and unfilled antimony skutterudites

Multiferroics Coupling of three lattice instabilities

Magnetism tailored by mechanical strain engineering in PrVO3 thin films

Lattice dynamics and Raman spectrum of BaZrO3 single crystals

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