Magnetic and Ferroelectric Properties of BiCrOa from First-Principles Calculations  

作　　者：丁俊 康秀宝 文黎巍 李海东 张健敏 

机构地区：[1]College of Science, Henan Institute of Engineering, Zhengzhou 451191 [2]College of Physics and Energy, Fujian Normal University, Fuzhou 350117

出　　处：《Chinese Physics Letters》2014年第10期130-133,共4页中国物理快报（英文版）

基　　金：Supported by the Special Funds of the National Natural Science Foundation of China under Grant No 11347187, the National Natural Science Foundation of China under Grant No 11404058, the Science and Technology Research Program of Henan Province of China under Grant No 132102210141, and the Doctoral Program of Henan Institute of Engineering under Grant No D2013007.

摘　　要：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.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.

分 类 号：TN304.9[电子电信—物理电子学] TM912[电气工程—电力电子与电力传动]