The reversal of magnetization driven by the Dzyaloshinskii-Moriya interaction(DMI) in perovskite Bi2FeMnO6

TL;DR

This study uses ab initio calculations to explore how the Dzyaloshinskii-Moriya interaction influences magnetization reversal in Bi2FeMnO6, revealing the role of AFD distortions and Coulomb interactions.

Contribution

It demonstrates the coupling mechanism between AFD distortions and magnetization driven by DMI in Bi2FeMnO6, highlighting the effect of Coulomb interaction on this coupling.

Findings

Magnetization rotation is prohibited when U > 2.7 eV.

Coupling is driven by DMI related to eg-eg AFM interactions.

Band gap and AFM vectors vary with Coulomb interaction.

Abstract

Ab initio calculations show that the coupling between antiferrodistortive(AFD) distortions and magnetization in perovskite Bi2FeMnO6 is prohibited to make magnetization rotate as on-site Coulomb interaction($U$) is larger than 2.7 eV, where anomalies in antiferromagnetic(AFM) vectors and band gap varying with on-site Coulomb interaction can be observed. This coupling is attributed to the antisymmetric Dzyaloshinskii-Moriya interaction(DMI) driven by the eg-eg states AFM interaction and charge redistribution with respect to different AFD distortions.