Electrostatic potential of ferroelectric PbTiO{sub 3}: Visualized electron polarization of Pb ion
Journal Article
·
· Physical Review. B, Condensed Matter and Materials Physics
- Department of Materials Science, Shimane University, 1060 Nishi-kawatsu-cho, Matsue, Shimane 690-8504 (Japan)
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 PbTiO{sub 3}. 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.
- OSTI ID:
- 20853845
- Journal Information:
- Physical Review. B, Condensed Matter and Materials Physics, Vol. 74, Issue 17; Other Information: DOI: 10.1103/PhysRevB.74.172105; (c) 2006 The American Physical Society; Country of input: International Atomic Energy Agency (IAEA); ISSN 1098-0121
- Country of Publication:
- United States
- Language:
- English
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