Anharmonic effective pair potentials in CaTiO3, SrTiO3 and CaGeO3 perovskite

Akira Yoshiasa, Kenji Nakajima, Kei Ichiro Murai, Maki Okube

Research output: Contribution to journalArticlepeer-review

13 Citations (Scopus)

Abstract

The temperature dependence of EXAFS Debye-Waller factors in CaTiO3, SrTiO3 and CaGeO3 perovskite was investigated with the cumulant expansion method. The CaGeO3 perovskite as an analogue of the Earth's lower-mantle mineral was synthesized in a cubic anvil type apparatus under 10 GPa 1250 K. The Ca, Ti and Ge K-edge EXAFS spectra were measured in transmission mode at temperature up to 1100 K. The effective pair potentials, V(u)= α u2/2+βu3/3!, were evaluated and the Grüneisen parameter were calculated. The potential coefficients α and β for Ti-O bond in CaTiO3 are 6.9 eVÅ-2 and -38 eVÅ-3, respectively. Those for Ge-O bond in CaGeO3 are 9.8 eVÅ-2 and -36 eVÅ-3, respectively.

Original languageEnglish
Pages (from-to)940-942
Number of pages3
JournalJournal of Synchrotron Radiation
Volume8
Issue number2
DOIs
Publication statusPublished - 2001 Mar 1

Keywords

  • Anharmonic effective pair potential
  • EXAFS Debye-Waller factor
  • Metastable CaGeO
  • Perovskite
  • SrTiO

ASJC Scopus subject areas

  • Radiation
  • Nuclear and High Energy Physics
  • Instrumentation

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