Ab initio study of magnetic anisotropy in cobalt doped zinc oxide with electron-filling

TL;DR

This study uses first-principles calculations to show how electron-filling influences magnetic anisotropy in cobalt-doped zinc oxide, revealing a switch from in-plane to out-of-plane magnetic easy axis.

Contribution

It demonstrates the dependence of magnetic anisotropy energy on electron-filling in Co-doped ZnO using ab initio methods, highlighting a controllable magnetic property.

Findings

Charge neutral Co:ZnO has an easy plane magnetic state.

Adjusting electron count causes the easy axis to rotate from in-plane to out-of-plane.

The change in MAE is linked to the ground state transition of Co ions.

Abstract

Based on first-principles calculation, it has been predicted that the magnetic anisotropy energy (MAE) in Co-doped ZnO (Co:ZnO) depends on electron-filling. Results show that the charge neutral Co:ZnO presents a "easy plane" magnetic state. While modifying the total number of electrons, the easy axis rotates from in-plane to out-of-plane. The alternation of the MAE is considered to be the change of the ground state of Co ion, resulting from the relocating of electrons on Co d-orbitals with electron-filling.