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

D. J. Singh

doi:10.1103/PhysRevB.73.094102

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

Materials Science 2009-11-11 v2

Authors: 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.

Keywords

electronic structure bond competition polar magnet PbVO3 density functional theory magnetoelectric effect

Cite

@article{arxiv.cond-mat/0512725,
  title  = {Electronic structure and bond competition in the polar magnet PbVO$_3$},
  author = {D. J. Singh},
  journal= {arXiv preprint arXiv:cond-mat/0512725},
  year   = {2009}
}

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5 pages

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