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arxiv: 1212.4586 · v1 · pith:HHXOVP2Ynew · submitted 2012-12-19 · ❄️ cond-mat.mtrl-sci

The role of Coulomb and exchange interaction on the Dzyaloshinskii-Moriya interaction(DMI) in BiFeO3

classification ❄️ cond-mat.mtrl-sci
keywords bifeo3interactiondzyaloshinskii-moriyamagnetizationalteredantiferrodistortivecalculationscell
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Ab initio calculations show that the Dzyaloshinskii-Moriya interaction(DMI)and net magnetization per unit cell in BiFeO3 are reduced when U is increasing from 0 to 2.9 eV, and independent of $J$. Interestingly, the DMI is even destroyed as $U$ exceeds a critical value of 2.9 eV. We propose a simple model to explain this phenomenon and present the nature of the rotation of the magnetization corresponding to altered antiferrodistortive distortions under DMI in BiFeO3.

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