Ab initio study of strain-induced ferroelectricity in SrTiO3

Takatoshi Hashimoto, Takeshi Nishlmatsu, Hiroshi Mizuseki, Yoshiyuki Kawazoe, Atsushi Sasaki, Yoshiaki Ikeda

Research output: Contribution to journalArticle

8 Citations (Scopus)

Abstract

Valley lines on total-energy surfaces for the zone-center distortions of free-standing and in-plane strained SrTiO3are investigated with a newly developed first-principles structure optimization technique [Jpn. J. Appl. Phys. 43 (2004) 6785]. The results of numerical calculations confirmed that 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.

Original languageEnglish
Pages (from-to)7134-7140
Number of pages7
JournalJapanese Journal of Applied Physics, Part 1: Regular Papers and Short Notes and Review Papers
Volume44
Issue number9 B
DOIs
Publication statusPublished - 2005 Sep 22

Keywords

  • Biaxial strain
  • Density functional theory
  • Last mode
  • Local density approximation
  • Potential surface
  • Slater mode

ASJC Scopus subject areas

  • Engineering(all)
  • Physics and Astronomy(all)

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