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Electronic structure and bond competition in the polar magnet PbVO$_3$

D. J. Singh
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Abstract

Density functional electronic structure studies of tetragonal PbVO$_3$ are reported. The results show a an important role for both Pb 6$p$ - O 2$p$ and V $d$ - O $p$ bonding, with an interplay between these. This is discussed in relation to the possibility of obtaining magnetoelectric behavior.

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D. J. Singh. 2006-01-05. Electronic structure and bond competition in the polar magnet PbVO$_3$. https://doi.org/10.1103/physrevb.73.094102

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