Ferromagnetism of an all-carbon composite composed of a carbon nanowire nside a single-walled carbon nanotube

TL;DR

This study uses first-principles calculations to demonstrate that inserting carbon nanowires into single-walled carbon nanotubes can induce ferromagnetism, with magnetic properties enhanced by structural modifications.

Contribution

It reveals a new all-carbon nanomaterial with tunable ferromagnetism due to nanowire insertion and defect engineering, advancing carbon-based magnetic materials.

Findings

Ferromagnetic ground state is more stable than antiferromagnetic at certain nanowire densities.

Dimerization and vacancies increase the magnetic moment.

Weak coupling between nanowire and nanotube influences magnetic stability.

Abstract

Using the first-principles spin density functional approach, we have studied magnetism of a new type of all-carbon nanomaterials, i.e., the carbon nanowires inserted into the single-walled carbon nanotubes. It is found that if the 1D carbon nanowire density is not too higher, the ferromagnetic ground state will be more stable than the antiferromagnetic one, which is caused by weak coupling between the 1D carbon nanowire and the single-walled carbon nanotube. Also, both dimerization of the carbon nanowire and carbon vacancy on the tube-wall are found to enhance the magnetic moment of the composite.