ab initio Study of Strain-Induced Ferroelectricity in SrTiO3

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dc.creatorHashimoto, Takatoshi
dc.creatorNishimatsu, Takeshi
dc.creatorMizuseki, Hiroshi
dc.creatorKawazoe, Yoshiyuki
dc.creatorSasaki, Atsushi
dc.creatorIkeda, Yoshiaki
dc.date2005-06-09
dc.date.accessioned2026-07-07T06:24:20Z
dc.date.available2026-07-07T06:24:20Z
dc.descriptionValley 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 structure optimization technique [Jpn. J. Appl. Phys. vol.43 (2004), p.6785]. The results of numerical calculations confirmed that the ferroelectricity is induced, and the Curie temperature is increased, by applying biaxial compressive or tensile strains. Along the distortion, strong nonlinear coupling between the soft- and hard-modes is demonstrated.
dc.description15 pages, 10 figures, submitted to Jpn. J. Appl. Phys
dc.identifierhttps://arxiv.org/abs/cond-mat/0506211
dc.identifierhttp://arxiv.org/abs/cond-mat/0506211
dc.identifierJpn. J. Appl. Phys. vol.44 (2005), pp.7134-7140
dc.identifierdoi:10.1143/JJAP.44.7134
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/96507
dc.subjectMaterials Science
dc.titleab initio Study of Strain-Induced Ferroelectricity in SrTiO3
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