The influence of B′(5d)-site substitution on structural, electronic and magnetic properties of Mn-based Ba2MnB′O6 (B′ = W, Re and Os): DFT-LSDA(+U) computational approaches

TDOS and PDOSs [Mn (3d), Os (5d) and O (2p)] for Ba2MnOsO6 from (a) DFT-LSDA and (b) DFT-LSDA+U (U = 4.0 eV for Mn (3d) and U = 1.0 eV for Os (5d)).187