Article ID Journal Published Year Pages File Type
1592732 Solid State Communications 2012 4 Pages PDF
Abstract
► Electronic and magnetic properties of Ba2VTO6 (T=Nb and Mo) are investigated. ► The ab-initio LMTO-ASA method was employed in the calculations. ► Total and partial DOSs for the compounds were calculated by using LSDA+U style. ► Half-metallic-ferromagnetic (HM-FM) ground state stabled in Ba2VNbO6 and Ba2VMoO6. ► ddpπ-SE interactions 3d-t2g2-O (2p)-4d-t2gn determine the properties of Ba2VTO6.
Related Topics
Physical Sciences and Engineering Materials Science Materials Science (General)
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