Elastic, electronic and magnetic properties of new oxide perovskite BaVO3: a first-principles study
arXiv:1411.5128 · doi:10.1016/j.matchemphys.2015.12.007
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.
14 pages, 2 tables, 3 figures