Magnetism in BN nanotubes induced by Carbon Substitution

TL;DR

This study uses ab initio calculations to show that substituting carbon into BN nanotubes induces spontaneous magnetization, making them promising for metal-free magnetic applications.

Contribution

It demonstrates that carbon substitution in BN nanotubes induces magnetism, a novel finding with potential for experimental realization and applications.

Findings

Carbon substitution induces spontaneous magnetization.

A spin-polarized, dispersionless band appears near the Fermi energy.

Magnetization is attributed to carbon 2p electrons.

Abstract

We performed ab initio calculation on the pristine and carbon-doped (5,5) and (9,0) BN nanotubes. It was found that Carbon substitution for either boron or nitrogen in BN nanotubes can induce spontaneous magnetization. Calculations based on density functional theory with the local-spin-density-approximation on the electronic band structure revealed a spin polarized, dispersionless band near the Fermi energy. The magnetization can be attributed to the carbon 2p electron. Compared to other theoretical models of light-element or metal-free magnetic materials, the Carbon-doped BN nanotubes are more experimentally accessible and can be potentially useful.