Intrinsic Magnetism in Nanosheets of SnO$_{2}$: A First-principles Study

TL;DR

This study demonstrates that nanosheets of SnO₂ exhibit intrinsic magnetism due to oxygen p orbitals around Sn vacancies, with defect stabilization and surface effects enhancing magnetic properties, opening new avenues for spintronics.

Contribution

First-principles calculations reveal intrinsic magnetism in SnO₂ nanosheets caused by native defects, without chemical doping, highlighting surface effects and defect stabilization.

Findings

Oxygen p orbitals around Sn vacancies induce localized magnetism.

Defect formation energies decrease significantly in nanosheets.

Surface vacancies are easier to create and are magnetic.

Abstract

We propose intrinsic magnetism in nanosheets of SnO$_{2}$, based on first-principles calculations. The electronic structure and spin density reveal that $p$ orbitals of the oxygen atoms, surrounding Sn vacancies, have a non itinerant nature which gives birth to localized magnetism. A giant decrease in defect formation energies of Sn vacancies in nanosheets is observed. We, therefore, believe that native defects can be stabilized without any chemical doping. Nanosheets of different thicknesses are also studied, and it is found that it is easier to create vacancies, which are magnetic, at the surface of the sheets. SnO$_{2}$ nanosheets can, therefore, open new opportunities in the field of spintronics.