Electrostatic potential of ferroelectric PbTiO3 : Visualized electron polarization of Pb ion
Physical Review B - Condensed Matter and Materials Physics Volume 74 Issue 17
Page 172105-1-172105-4
published_at 2006-11-16
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| File | |
| Title ( eng ) |
Electrostatic potential of ferroelectric PbTiO3 : Visualized electron polarization of Pb ion
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| Creator |
Tanaka Hiroshi
Takata Masaki
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| Source Title |
Physical Review B - Condensed Matter and Materials Physics
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| Volume | 74 |
| Issue | 17 |
| Start Page | 172105-1 |
| End Page | 172105-4 |
| 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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| Language |
eng
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| Resource Type | journal article |
| Publisher |
American Physical Society
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| Date of Issued | 2006-11-16 |
| Rights |
Copyright (c) 2006 The American Physical Society.
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| Publish Type | Version of Record |
| Access Rights | open access |
| Source Identifier |
[ISSN] 1098-0121
[DOI] 10.1103/PhysRevB.74.172105
[NCID] AA11187113
[DOI] http://dx.doi.org/10.1103/PhysRevB.74.172105
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