English

Magnetism and electronic properties of BiFeO3 under lower pressure

Materials Science 2012-12-20 v1
Authors: Hong-Jian Feng
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Abstract

Ab initio calculations show an antiferromagnetic-ferromagnetic phase transition around 9-10 GPa and a magnetic anomaly at 12 GPa in BiFeO3. The magnetic phase transition also involves a structural and insulator-metal transition. The G-type AFM configuration under pressure leads to an increase of the y component and decrease of the z component of the magnetization, which is caused by the splitting of the dz2 orbital from doubly degenerate eg states. Our results agree with recent experimental results.

Keywords

BiFeO3 antiferromagnetic-ferromagnetic transition pressure ab initio calculations insulator-metal transition orbital splitting

Cite

@article{arxiv.1212.4591,
  title  = {Magnetism and electronic properties of BiFeO3 under lower pressure},
  author = {Hong-Jian Feng},
  journal= {arXiv preprint arXiv:1212.4591},
  year   = {2012}
}

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