Magnetic and Ferroelectric Properties of BiCrOa from First-Principles Calculations

The electro,tic, magnetic, and ferroelectric properties of BiCrO3 in C2/c and R3c structure are investigated by first principles calculations. It is found that the easy magnetization axis in C2/c structure is along the b axis, the magnetic order in R3c structure is G-type antiferromagnetic and the e...

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Published in中国物理快报：英文版 no. 10; pp. 130 - 133
Main Author 丁俊 康秀宝 文黎巍 李海东 张健敏
Format Journal Article
LanguageEnglish
Published 2014
Subjects
Berry相
易磁化轴
磁性
第一原理计算
结构
自发极化
菱形
铁电特性
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Summary:The electro,tic, magnetic, and ferroelectric properties of BiCrO3 in C2/c and R3c structure are investigated by first principles calculations. It is found that the easy magnetization axis in C2/c structure is along the b axis, the magnetic order in R3c structure is G-type antiferromagnetic and the easy magnetization axis is along the rhombohedral [111] direction. Berry phase theory predicts that the R3c structure of BiCrOa has a large spontaneous polarization of 73.9 μC/cm2 along the rhombohedral [111] direction.
Bibliography:The electro,tic, magnetic, and ferroelectric properties of BiCrO3 in C2/c and R3c structure are investigated by first principles calculations. It is found that the easy magnetization axis in C2/c structure is along the b axis, the magnetic order in R3c structure is G-type antiferromagnetic and the easy magnetization axis is along the rhombohedral [111] direction. Berry phase theory predicts that the R3c structure of BiCrOa has a large spontaneous polarization of 73.9 μC/cm2 along the rhombohedral [111] direction.
DING Jun, KANG Xiu-Bao, WEN Li-Wei, LI Hai-Dong, ZHANG aian-Min（1 College of Science, Henan Institute of Engineering, Zhengzhou 451191 2 College of Physics and Energy, Fujian Normal University, Fuzhou 350117）
11-1959/O4
ISSN:0256-307X
1741-3540