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Estimation of Valence Distribution in Perovskites using the Bond Valence Method

P., D.H. Yen and N., T. Hang and Dinh, Van Chau and Dinh, Van Thuong and Hoang, Nam Nhat (2015) Estimation of Valence Distribution in Perovskites using the Bond Valence Method. Information, 18 (7). pp. 2917-2926.

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Abstract

This paper presents the application of the bond valence method to estimate the valence charge distribution in several perovskite systems: La1-xxPbxMn03 (x=0.1-0.5), La0.6Sr0.4.xTixMnO3 (x=0.0- 0.25) and La1=xSrxCoO3 (x=0.1-0.5). The results showed a failure of elastic bonding mechanism in all compounds and revealed a deficit of valence charge in the unit cells. This valence deficit was not associated with the structural defects and is equally localized in all coordination spheres. As the content of substitution increased, the charge deficit declined systematically from balanced level, signifying the transfer of charge from the B-O6 to A-O12 spheres. This transfer reaches near 2 electrons per unit cell. The possible impact of the limitted accuracy of available structural data was considered.

Item Type: Article
Subjects: Engineering Physics
ISI-indexed journals
Divisions: Faculty of Engineering Physics and Nanotechnology (FEPN)
Depositing User: Ms. Cam Le Tran Thi
Date Deposited: 11 Jul 2016 12:39
Last Modified: 11 Jul 2016 12:40
URI: http://eprints.uet.vnu.edu.vn/eprints/id/eprint/1809

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