One-Dimensional Organometallic V-Anthracene Wire and Its B-N Analogue: Efficient Half-Metallic Spin Filters

Details One-Dimensional Organometallic V-Anthracene Wire and Its B-N Analogue: Efficient Half-Metallic Spin Filters One-Dimensional Organometallic V-Anthracene Wire and Its B-N Analogue: Efficient Half-Metallic Spin Filters

2011-01-21

arxiv.org/abs/1101.4115v1

Phys. Chem. Chem. Phys. 12, 6924 (2010)

Physics

Condensed Matter

Mesoscale and Nanoscale Physics

Scientific paper

10.1039/C004653C

Using density functional theory, we have investigated the structural, electronic and magnetic properties of infinitely periodic organometallic vanadium-anthracene ($[V_2Ant]_\infinity)$ 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 $[V_2Ant]_\infinity$ and $[V_4(BNAnt)_2]_\infinity$ wires exhibit robust ferromagnetic half-metallic and metallic behavior, respectively. The finite sized $V_6Ant_2$ and $V_6(BNAnt)_2$ clusters are also found to exhibit efficient spin filter properties when coupled to graphene electrodes on either side.

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