Electronic structure and bond competition in the polar magnet PbVO3

被引：48

作者：

Singh, DJ ^{[1
]}

机构：

[1] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA

来源：

PHYSICAL REVIEW B | 2006年 / 73卷 / 09期

关键词：

D O I：

10.1103/PhysRevB.73.094102

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Density functional electronic structure studies of tetragonal PbVO3 are reported. The results show an important role for both Pb 6p-O 2p and V d-O p bonding, with an interplay between these. This is discussed in relation to the possibility of obtaining magnetoelectric behavior.

引用

页数：5

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