One-dimensional organometallic V-anthracene wire and its B-N analogue: efficient half-metallic spin filters.
Using density functional theory, we have investigated the structural, electronic and magnetic properties of infinitely periodic organometallic vanadium-anthracene ([V(2)Ant](infinity)) and [V(4)(BNAnt)(2)](infinity) (where BNAnt is B-N analogue of anthracene) for their possible application in spintronics. From our calculations, we find that one-dimensional [V(2)Ant](infinity) and [V(4)(BNAnt)(2)](infinity) wires exhibit robust ferromagnetic half-metallic and metallic behavior, respectively. The finite sized V(6)Ant(2) and V(6)(BNAnt)(2) clusters are also found to exhibit efficient spin filter properties when coupled to graphene electrodes on either side.
Parida
Prakash
P
Theoretical Sciences Unit, Jawaharlal Nehru Center for Advanced Scientific Research, Jakkur Campus, Bangalore-560064, India.
Kundu
Anasuya
A
Pati
Swapan K
SK