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Ferroelectricity and isotope effects in hydrogen-bonded KDP crystals

Physical review letters, 2002-10, Vol.89 (18), p.187602-187602, Article 187602

2002

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Ab initio and shell model studies of structural, thermoelastic and vibrational properties of SnO2 under pressure

Journal of physics. Condensed matter, 2013-04, Vol.25 (13), p.135404-135404

2013

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Ferroelectric properties of BaxSr1−xTiO3 solid solutions obtained by molecular dynamics simulation

Journal of physics. Condensed matter, 2004-05, Vol.16 (20), p.3495-3506

2004

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Atomic-level simulation of ferroelectricity in oxide materials

Current opinion in solid state & materials science, 2005-06, Vol.9 (3), p.107-113

2005

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Ab initio study of the structure, isotope effects, and vibrational properties in KDP crystals

Physical review. B, 2018-09, Vol.98 (10), p.104108, Article 104108

2018

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Interface effects in ferroelectric PbTiO3 ultrathin films on a paraelectric substrate

Physical review letters, 2006-04, Vol.96 (13), p.137603-137603

2006

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Origin of antiferroelectricity in NH4H2PO4 from first principles

Physical review letters, 2007-06, Vol.98 (26), p.267601-267601

2007

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Surface reconstruction and ferroelectricity in PbTiO3 thin films

Physical review. B, Condensed matter and materials physics, 2005-07, Vol.72 (1), p.014110.1-014110.6

2005

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Atomistic modelling of BaTiO3 based on first-principles calculations

Journal of physics. Condensed matter, 1999-12, Vol.11 (48), p.9679-9690

1999

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Ab initio studies of the para- and antiferroelectric structures and local polarized configurations in NH4H2PO4

The Journal of chemical physics, 2011-08, Vol.135 (8), p.084504-084504

2011

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Shell-model description of lattice dynamical properties of MgH2

Journal of physics. Condensed matter, 2005-11, Vol.17 (44), p.7133-7141

2005

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A shell model for the H-bonded ferroelectric KH2PO4

Physica. B, Condensed matter, 2009-10, Vol.404 (18), p.2736-2738

2009

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Coexistence of ferroelectric and antiferroelectric microregions in the paraelectric phase of NH4H2PO4 (ADP)

Physica. B, Condensed matter, 2009-10, Vol.404 (18), p.2749-2750

2009

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Phonons, Instabilities and Origin of Polarization in KDP Crystals

Ferroelectrics, 2010-01, Vol.401 (1), p.200-206

2010

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Slater and Takagi defects in KH2PO4 from first principles

Physical review. B, Condensed matter and materials physics, 2005-09, Vol.72 (10), p.104104.1-104104.8

2005

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Ferroelectric phase transitions and dynamical behavior in KNbO3/KTaO3 superlattices by molecular-dynamics simulation

Journal of applied physics, 2002-03, Vol.91 (5), p.3165-3171

2002

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Shell Model Study of Local and Global Energy Barriers in KDP

Ferroelectrics, 2010-01, Vol.401 (1), p.103-109

2010

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Order-disorder behavior in KNbO3 and KNbO3/KTaO3 solid solutions and superlattices by molecular-dynamics simulation

Journal of materials science, 2005-06, Vol.40 (12), p.3213-3217

2005

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Surface and Substrate Effects on the Ferroelectric Properties of PbTiO3 Ultrathin Films

Ferroelectrics, 2006-01, Vol.335 (1), p.3-12

2006

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Atomic-level simulation of ferroelectricity in perovskite solid solutions

Applied physics letters, 2000-06, Vol.76 (26), p.3986-3988

2000

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Interplay between proton ordering and ferroelectric polarization in H-bonded KDP-type crystals

Computational materials science, 2001-11, Vol.22 (1), p.87-93

2001

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Ferroelectric properties of KNbO3/KTaO3 superlattices by atomic-level simulation

Journal of applied physics, 2001-11, Vol.90 (9), p.4509-4519

2001

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Ab Initio Study of the Microscopic Mechanism Leading to Antiferroelectricity in NH4H2PO4 (ADP)

Ferroelectrics, 2008-01, Vol.363 (1), p.13-20

2008

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Polarization reversal in a perovskite ferroelectric by molecular-dynamics simulation

Applied physics letters, 2001-12, Vol.79 (26), p.4417-4419

2001

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Ab-Initio Investigations of Pressure Effects on the Ferroelectric Instabilities in KDP and DKDP

Ferroelectrics, 2004-01, Vol.301 (1), p.61-64

2004

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Ferroelectricity and isotope effects in hydrogen-bonded KDP crystals

Ab initio and shell model studies of structural, thermoelastic and vibrational properties of SnO2 under pressure

Ferroelectric properties of BaxSr1−xTiO3 solid solutions obtained by molecular dynamics simulation

Atomic-level simulation of ferroelectricity in oxide materials

Ab initio study of the structure, isotope effects, and vibrational properties in KDP crystals

Interface effects in ferroelectric PbTiO3 ultrathin films on a paraelectric substrate

Origin of antiferroelectricity in NH4H2PO4 from first principles

Surface reconstruction and ferroelectricity in PbTiO3 thin films

Atomistic modelling of BaTiO3 based on first-principles calculations

Ab initio studies of the para- and antiferroelectric structures and local polarized configurations in NH4H2PO4

Shell-model description of lattice dynamical properties of MgH2

A shell model for the H-bonded ferroelectric KH2PO4

Coexistence of ferroelectric and antiferroelectric microregions in the paraelectric phase of NH4H2PO4 (ADP)

Phonons, Instabilities and Origin of Polarization in KDP Crystals

Slater and Takagi defects in KH2PO4 from first principles

Ferroelectric phase transitions and dynamical behavior in KNbO3/KTaO3 superlattices by molecular-dynamics simulation

Shell Model Study of Local and Global Energy Barriers in KDP

Order-disorder behavior in KNbO3 and KNbO3/KTaO3 solid solutions and superlattices by molecular-dynamics simulation

Surface and Substrate Effects on the Ferroelectric Properties of PbTiO3 Ultrathin Films

Atomic-level simulation of ferroelectricity in perovskite solid solutions

Interplay between proton ordering and ferroelectric polarization in H-bonded KDP-type crystals

Ferroelectric properties of KNbO3/KTaO3 superlattices by atomic-level simulation

Ab Initio Study of the Microscopic Mechanism Leading to Antiferroelectricity in NH4H2PO4 (ADP)

Polarization reversal in a perovskite ferroelectric by molecular-dynamics simulation

Ab-Initio Investigations of Pressure Effects on the Ferroelectric Instabilities in KDP and DKDP

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