First-principles study of the multimode antiferroelectric transition inPbZrO3

Insights into the phase diagram of bismuth ferrite from quasiharmonic free-energy calculations

(2014) Claudio Cazorla et al.   PHYSICAL REVIEW B

Anomalous properties of antiferroelectricPbZrO3under hydrostatic pressure

(2014) S. Prosandeev et al.   PHYSICAL REVIEW B

Multiple Soft-Mode Vibrations of Lead Zirconate

(2014) J. Hlinka et al.   PHYSICAL REVIEW LETTERS

Universal collaborative couplings between oxygen-octahedral rotations and antiferroelectric distortions in perovskites

(2013) L. Bellaiche et al.   PHYSICAL REVIEW B

Antiferroelectricity and ferroelectricity in epitaxially strained PbZrO3from first principles

(2013) Sebastian E. Reyes-Lillo et al.   PHYSICAL REVIEW B

The origin of antiferroelectricity in PbZrO3

(2013) A. K. Tagantsev et al.   Nature Communications

Novel Nanoscale Twinned Phases in Perovskite Oxides

(2012) Sergey Prosandeev et al.   ADVANCED FUNCTIONAL MATERIALS

Novel Ferroelectric Polymers for High Energy Density and Low Loss Dielectrics

(2012) Lei Zhu et al.   MACROMOLECULES

First-principles predictions of low-energy phases of multiferroic BiFeO3

(2011) Oswaldo Diéguez et al.   PHYSICAL REVIEW B

The Role of Trilinear Couplings in the Phase Transitions of Aurivillius Compounds

(2010) I. Etxebarria et al.   FERROELECTRICS

A brief review on the model antiferroelectric PbZrO3perovskite-like material

(2010) Hongbo Liu et al.   ZEITSCHRIFT FUR KRISTALLOGRAPHIE

Physics and Applications of Bismuth Ferrite

(2009) Gustau Catalan et al.   ADVANCED MATERIALS

ABINIT: First-principles approach to material and nanosystem properties

(2009) X. Gonze et al.   COMPUTER PHYSICS COMMUNICATIONS

VESTA: a three-dimensional visualization system for electronic and structural analysis

(2008) Koichi Momma et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Multiple instabilities inBi4Ti3O12: A ferroelectric beyond the soft-mode paradigm

(2008) J. M. Perez-Mato et al.   PHYSICAL REVIEW B

First-principles investigations of elastic properties and energetics of antiferroelectric and ferroelectric phases ofPbZrO3

(2008) R. Kagimura et al.   PHYSICAL REVIEW B

Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces

(2008) John P. Perdew et al.   PHYSICAL REVIEW LETTERS