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Ferroelectric surface induced electron doping in a zigzag graphene nanoribbon

Journal of physics. Condensed matter, 2016-11, Vol.28 (43), p.435002-435002

2016

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Atomic-level description of the CH3NH3PbI3perovskite solar cell absorber surface

Materials today : proceedings, 2019, Vol.14, p.181-184

2019

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SIZE EFFECTS, LOCAL PROPERTIES AND MORPHOLOGY OF THE DOMAINS IN FREE-STANDING ULTRATHIN FILMS OF PbTiO3

Anales AFA, 2014-11, Vol.25 (4), p.171-175

2014

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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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First-principles-based simulations of relaxor ferroelectrics

Phase transitions, 2006-01, Vol.79 (1-2), p.91-121

2006

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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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Effects of the antiferrodistortive instability on the structural behavior of BaZrO 3 by atomistic simulations

Physical review. B, 2023-04, Vol.107 (13), Article 134102

2023

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Applications of the generalized gradient approximation to ferroelectric perovskites

Physical review. B, Condensed matter, 1998-11, Vol.58 (18), p.11959-11963

1998

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Order-disorder, local structure and precursor effects in BaTiO3

Ferroelectrics, 2000-01, Vol.237 (1), p.41-48

2000

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Development of an Atomic Level Model for BiFeO 3 from First-Principles

Ferroelectrics, 2014-03, Vol.461 (1), p.61-67

2014

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Development of an Atomic Level Model for BiFeO3from First-Principles

Ferroelectrics, 2014-03, Vol.461 (1), p.61-67

2014

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Development of an Atomic Level Model for BiFeO^sub 3^from First-Principles

Ferroelectrics, 2014-01, Vol.461 (1), p.61

2014

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Development of an Atomic Level Model for BiFeO sub(3)from First-Principles

Ferroelectrics, 2014-01, Vol.461 (1), p.61-67

2014

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Ferroelectricity and Domain Wall Motion in Ultrathin Perovskite Epitaxial Films

Ferroelectrics, 2002-01, Vol.268 (1), p.245-250

2002

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Phase transitions and antiferroelectricity in BiFe O 3 from atomic-level simulations

Physical review. B, Condensed matter and materials physics, 2014-11, Vol.90 (18), Article 184108

2014

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Phase transitions and antiferroelectricitv in BiFe O sub(3) from atomiclevel simulations

Physical review. B, Condensed matter and materials physics, 2014-11, Vol.90 (18)

2014

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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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THE EFFECT OF NEAREST NEIGHBOR [Pb─O] DIVACANCY PAIRS ON THE FERROELECTRIC-RELAXOR TRANSITION IN NANO-ORDERED Pb(Sc1/2Nb1/2)O3

Integrated ferroelectrics, 2008, Vol.101 (1), p.37-43

2008

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Ferroelectric properties of Ba x Sr 1 x TiO 3 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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Ferroelectric properties of BaxSr1-xiO3 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 perroelectricity in BaTiO3 ultrathin films

Integrated ferroelectrics, 2001, Vol.38 (1-4), p.91-100

2001

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Atomic-level simulation of perroelectricity in BaTiO 3 ultrathin films

Integrated ferroelectrics, 2001-01, Vol.38 (1-4), p.91-100

2001

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Quantitative analysis of the first-principles effective Hamiltonian approach to ferroelectric perovskites

Physical review. B, Condensed matter, 2003-02, Vol.67 (6), Article 064106

2003

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Atomistic modelling of BaTiO 3 based on first-principles calculations

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

1999

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Modelling of the phase transitions sequence in KNbO3 and BaTiO3

Zeitschrift für Physik. B, Condensed matter, 1997-12, Vol.104 (4), p.721-724

1997

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Ferroelectric surface induced electron doping in a zigzag graphene nanoribbon

Atomic-level description of the CH3NH3PbI3perovskite solar cell absorber surface

SIZE EFFECTS, LOCAL PROPERTIES AND MORPHOLOGY OF THE DOMAINS IN FREE-STANDING ULTRATHIN FILMS OF PbTiO3

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

First-principles-based simulations of relaxor ferroelectrics

Atomistic modelling of BaTiO3 based on first-principles calculations

Effects of the antiferrodistortive instability on the structural behavior of BaZrO 3 by atomistic simulations

Applications of the generalized gradient approximation to ferroelectric perovskites

Order-disorder, local structure and precursor effects in BaTiO3

Development of an Atomic Level Model for BiFeO 3 from First-Principles

Development of an Atomic Level Model for BiFeO3from First-Principles

Development of an Atomic Level Model for BiFeO^sub 3^from First-Principles

Development of an Atomic Level Model for BiFeO sub(3)from First-Principles

Ferroelectricity and Domain Wall Motion in Ultrathin Perovskite Epitaxial Films

Phase transitions and antiferroelectricity in BiFe O 3 from atomic-level simulations

Phase transitions and antiferroelectricitv in BiFe O sub(3) from atomiclevel simulations

Ab initio study of the phase diagram of epitaxial BaTiO3

THE EFFECT OF NEAREST NEIGHBOR [Pb─O] DIVACANCY PAIRS ON THE FERROELECTRIC-RELAXOR TRANSITION IN NANO-ORDERED Pb(Sc1/2Nb1/2)O3

Ferroelectric properties of Ba x Sr 1 x TiO 3 solid solutions obtained by molecular dynamics simulation

Ferroelectric properties of BaxSr1-xiO3 solid solutions obtained by molecular dynamics simulation

Atomic-level simulation of perroelectricity in BaTiO3 ultrathin films

Atomic-level simulation of perroelectricity in BaTiO 3 ultrathin films

Quantitative analysis of the first-principles effective Hamiltonian approach to ferroelectric perovskites

Atomistic modelling of BaTiO 3 based on first-principles calculations

Modelling of the phase transitions sequence in KNbO3 and BaTiO3

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