One-Dimensional Organometallic V-Anthracene Wire and Its B-N Analogue: Efficient Half-Metallic Spin Filters
Abstract
Using density functional theory, we have investigated the structural, electronic and magnetic properties of infinitely periodic organometallic vanadium-anthracene ([V2Ant]∈finity) and [V4(BNAnt)2]∈finity(where BNAnt is B-N analogue of anthracene) for their possible application in spintronics. From our calculations, we find that one-dimensional [V2Ant]∈finity and [V4(BNAnt)2]∈finity wires exhibit robust ferromagnetic half-metallic and metallic behavior, respectively. The finite sized V6Ant2 and V6(BNAnt)2 clusters are also found to exhibit efficient spin filter properties when coupled to graphene electrodes on either side.
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