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

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

2005-12-30

arxiv.org/abs/cond-mat/0512725v2

Physics

Condensed Matter

Materials Science

5 pages

Scientific paper

10.1103/PhysRevB.73.094102

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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