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One-dimensional organometallic V–anthracene wire and its B–N analogue: efficient half-metallic spin filters
Prakash Parida,Anasuya Kundu
Physical Chemistry Chemical Physics Pub Date : 05/20/2010 00:00:00 , DOI:10.1039/C004653C
Abstract

Using density functional theory, we have investigated the structural, electronic and magnetic properties of infinitely periodic organometallic vanadiumanthracene ([V2Ant]) and [V4(BNAnt)2] (where BNAnt is B–N analogue of anthracene) for their possible application in spintronics. From our calculations, we find that one-dimensional [V2Ant] and [V4(BNAnt)2] 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.

Graphical abstract: One-dimensional organometallic V–anthracene wire and its B–N analogue: efficient half-metallic spin filters
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