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cond-mat.mtrl-sci2005★ 13 cited
ab initio Study of Strain-Induced Ferroelectricity in SrTiO3
Takatoshi Hashimoto, Takeshi Nishimatsu, Hiroshi Mizuseki +3
Valley lines on total-energy surfaces for the zone-center distortions of free-standing and in-plane strained SrTiO3 are investigated with a newly developed first-principles structu…
cond-mat.mtrl-sci2004★ 14 cited
Ab initio Study of Valley Line on a Total-Energy Surface for Zone-Center Distortions of Ferroelectric Perovskite Oxides BaTiO3 and PbTiO3
Takeshi Nishimatsu, Takatoshi Hashimoto, Hiroshi Mizuseki +3
An ab initio structure optimization technique is newly developed to determine the valley line on a total-energy surface for zone-center distortions of ferroelectric perovskite oxid…