Organometallic Vanadium-Borazine Systems: Efficient One- Dimensional Half-Metallic Spin Filters

Details Organometallic Vanadium-Borazine Systems: Efficient One- Dimensional Half-Metallic Spin Filters Organometallic Vanadium-Borazine Systems: Efficient One- Dimensional Half-Metallic Spin Filters

2009-04-08

arxiv.org/abs/0904.1342v1

J. Mater. Chem. 19, 1761 (2009)

Physics

Condensed Matter

Mesoscale and Nanoscale Physics

Scientific paper

Using density functional theory, we have investigated the electronic and magnetic properties of finite-size as well as infinitely periodic organometallic vanadium-borazine systems for their possible applications in spintronics devices. From our calculations, we find the finite-size vanadium-borazine systems to be structurally more stable in comparison to their isoelectronic benzene counterparts. All the finite-size vanadium-borazine systems are found to be ferromagnetically stabilized, with the infinite one-dimensional wire exhibiting robust half-metallic behaviour. The finite-size clusters are also found to exhibit efficient spin filter properties when coupled to graphene electrodes.

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