Electrostatic potential of ferroelectric PbTiO3: Visualized electron polarization of Pb ion

Hiroshi Tanaka, Yoshihiro Kuroiwa, Masaki Takata

Research output: Contribution to journalArticlepeer-review

31 Citations (Scopus)

Abstract

A different method is proposed to evaluate the electrostatic potential and electric field from x-ray diffraction data by using maximum entropy method. The efficiency of the method is revealed in the application to a ferroelectric material PbTiO3. Visualized electrostatic potential and electric field on the charge density distribution give a direct evidence for the dipolar polarization of the Pb ion. They show close agreement with results by ab initio calculations.

Original languageEnglish
Article number172105
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume74
Issue number17
DOIs
Publication statusPublished - 2006
Externally publishedYes

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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