Spin polarized diamond neutral vacancy

TL;DR

This paper uses density functional theory to analyze a spin-polarized diamond cluster with a neutral vacancy, revealing its electronic and spin properties relevant for spintronic applications.

Contribution

It introduces a computational approach to study spin-polarized diamond clusters with vacancies, highlighting their potential in spintronic devices.

Findings

Band gap of 1.70 eV in the cluster

Electronic properties depend on spin type

Potential use as data transporter in spintronics

Abstract

The atomic orbital basis and atomic pseudopotential for electron-ion interaction in framework of density function theory used to calculate C70H84 spin polarized diamond cluster with neutral vacancy. The band gap has been found to be 1.70 eV. The chosen cluster comprises electronic properties depending on thetype of its spin. It could be used as a data transporter. The calculated band gap, density of state and spin properties illustrate how beneficial it could be in spintronic devices.