Promising half-metallic ferromagnetism in double perovskites Ba2VTO6 (T=Nb and Mo): Ab-initio LMTO-ASA investigations

► 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.