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

TL;DR

This study uses density functional theory to explore the properties of one-dimensional organometallic V-Anthracene and B-N analogue wires, revealing their potential as efficient spin filters for spintronics applications.

Contribution

It introduces novel one-dimensional V-Anthracene and B-N analogue wires with half-metallic and metallic behavior, demonstrating their suitability as spin filters.

Findings

V-Anthracene wire exhibits robust ferromagnetic half-metallicity.

B-N analogue wire shows metallic behavior.

Finite clusters demonstrate efficient spin filtering when coupled to graphene.

Abstract

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.