Electronic structure and bond competition in the polar magnet PbVO 3
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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Submitted on 30 Dec 2005 (v1), last revised 5 Jan 2006 (this version, v2)
Updated
arXiv.org
Original Source