Atomic replacement effect on electron charge density of perovskite oxides

Yoshihiro Kuroiwa, Shinobu Aoyagi, Akikatsu Sawada, Eiji Nishibori, Masaki Takata, Makoto Sakata, Hiroshi Tanaka, Jimpei Harada

Research output: Contribution to journalArticlepeer-review

19 Citations (Scopus)


Charge density distributions of cubic SrTiO3 have been investigated related to the atomic replacement effect on the phase transition, by analyzing the synchrotron-radiation X-ray powder-diffraction data by the MEM (Maximum Entropy Method)/Rietveld method. The chemical bonding natures between constituent atoms in cubic SrTiO3 are compared with those in cubic BaTiO3 that we investigated previously at the same temperature. The Characteristic charge density distribution around the O atom, which may present a clue what kind of phase transition occurs in the cubic perovskite oxide, is found in SrTiO3.

Original languageEnglish
Pages (from-to)S1425-S1428
JournalJournal of the Korean Physical Society
Issue numberSUPPL.
Publication statusPublished - 2003 Apr


  • BaTiO
  • Charge density
  • Maximum entropy method
  • Perovskite
  • Powder diffraction
  • SrTiO
  • Synchrotron radiation


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