Elastic, electronic and magnetic properties of new oxide perovskite BaVO3: a first-principles study

V. V. Bannikov

doi:10.1016/j.matchemphys.2015.12.007

Elastic, electronic and magnetic properties of new oxide perovskite BaVO3: a first-principles study

Materials Science 2019-04-18 v1

Authors: V. V. Bannikov

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Abstract

The structural, elastic, magnetic properties, as well as electronic structure and chemical bonding picture of new oxide 3d1-perovskite BaVO3, recently synthesized, were systematically investigated involving the first-principles FLAPW-GGA calculations. The obtained results are discussed in comparison with available experimental data, as well as with those obtained before for isostructural and isoelectronic SrVO3 perovskite.

Keywords

BaVO3 perovskite first-principles calculations FLAPW-GGA elastic properties electronic structure magnetic properties

Cite

@article{arxiv.1411.5128,
  title  = {Elastic, electronic and magnetic properties of new oxide perovskite BaVO3: a first-principles study},
  author = {V. V. Bannikov},
  journal= {arXiv preprint arXiv:1411.5128},
  year   = {2019}
}

Comments

14 pages, 2 tables, 3 figures

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