STRUCTURAL AND MAGNETIC PHASE TRANSITIONS OF BiFeO3 INDUCED BY PRESSURE

被引:2
|
作者
Feng, Hong-Jian [1 ]
Hu, Xiaoyun [1 ]
Chen, Huijuan [2 ]
机构
[1] NW Univ Xian, Dept Phys, Xian 710069, Peoples R China
[2] Xian Polytech Univ, Sch Comp Sci, Xian 710048, Peoples R China
基金
中国国家自然科学基金;
关键词
BiFeO3; phase transitions; antiferromagnetic structure; multiferroics; density functional theory; AUGMENTED-WAVE METHOD; BISMUTH FERRITE; DRIVEN; FILM;
D O I
10.1142/S1793604713500264
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
First-principles calculations on BiFeO3 under low-pressure region show that the rhombohedral-monoclinic and rhombohedralorthorhombic phase transitions can be found around the critical pressure value, similar to 9 GPa. We suggest that the structure involve the combination of these three phases and change to the pure orthorhombic phase gradually as pressure is beyond the critical value. Moreover, it is a first-order structural phase transition, accompanied with antiferromagnetic - ferromagnetic transition.
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页数:4
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