The influence of B′(5d)-site substitution on structural, electronic and magnetic properties of Mn-based Ba 2 MnB′O 6 (B′ = W, Re and Os): DFT-LSDA(+ U ) computational approaches

Title
The influence of B′(5d)-site substitution on structural, electronic and magnetic properties of Mn-based Ba 2 MnB′O 6 (B′ = W, Re and Os): DFT-LSDA(+ U ) computational approaches
Authors
Keywords
Double perovskite, Electronic properties, DFT-(LSDA+, U, ) approach
Journal
Computational and Theoretical Chemistry
Volume 1074, Issue -, Pages 107-111
Publisher
Elsevier BV
Online
2015-10-24
DOI
10.1016/j.comptc.2015.10.017

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