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

TL;DR

This study uses density functional theory to explore vanadium-borazine systems, revealing their stability, magnetic properties, and potential as efficient spin filters for spintronics applications.

Contribution

It demonstrates the stability and half-metallic behavior of vanadium-borazine systems, highlighting their potential in spintronic devices, which is a novel insight.

Findings

Finite vanadium-borazine systems are more stable than benzene counterparts.

Infinite vanadium-borazine wire exhibits half-metallic behavior.

Finite clusters act as efficient spin filters with graphene electrodes.

Abstract

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.