Electrostatic potential of ferroelectric PbTiO3 : Visualized electron polarization of Pb ion
Use this link to cite this item : https://ir.lib.hiroshima-u.ac.jp/00018828
ID | 18828 |
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creator |
Tanaka, Hiroshi
Takata, Masaki
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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.
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journal title |
Physical Review B - Condensed Matter and Materials Physics
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volume | Volume 74
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issue | Issue 17
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start page | 172105-1
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end page | 172105-4
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date of issued | 2006-11-16
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publisher | American Physical Society
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issn | 1098-0121
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ncid | |
publisher doi | |
language |
eng
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nii type |
Journal Article
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HU type |
Journal Articles
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DCMI type | text
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format | application/pdf
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text version | publisher
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rights | Copyright (c) 2006 The American Physical Society.
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relation url | |
department |
Graduate School of Science
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