Accurate charge-densities of crystalline materials obtained by third generation SR and MEM/rietveld analysis

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

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

The advent of third-generation synchrotron-radiation (SR) provides a new opportunity of the supreme powder diffractometry, which allows one to determine accurate charge-densities, when the collected data are analyzed by the MEM/Rietveld method. The Large Debye-Scherrer Camera with an Imaging Plate as a detector has been designed and installed at BL02B2 in SPring-8 for the charge-density study. We have succeeded in observing the significant electron-orbital hybridizations revealed in the bonding electron distributions of PbTiO 3 and BaTiO 3 , which are closely related to the ferroelectric properties.

Original languageEnglish
Pages (from-to)23-28
Number of pages6
JournalFerroelectrics
Volume268
DOIs
Publication statusPublished - 2002 Jan 1

Keywords

  • BaTiO
  • Charge density
  • MEM/Rietveld method
  • PbTiO
  • Synchrotron radiation

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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