1212.4591 (Hong-Jian Feng)

Magnetism and electronic properties of BiFeO3 under lower pressure    [PDF]

Hong-Jian Feng

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.

View original: http://arxiv.org/abs/1212.4591