Chin. Phys. Lett.  2014, Vol. 31 Issue (10): 107501    DOI: 10.1088/0256-307X/31/10/107501
CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES |
Magnetic and Ferroelectric Properties of BiCrO3 from First-Principles Calculations
DING Jun1**, KANG Xiu-Bao1, WEN Li-Wei1, LI Hai-Dong1, ZHANG Jian-Min2
1College of Science, Henan Institute of Engineering, Zhengzhou 451191
2College of Physics and Energy, Fujian Normal University, Fuzhou 350117
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DING Jun, KANG Xiu-Bao, WEN Li-Wei et al  2014 Chin. Phys. Lett. 31 107501
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Abstract The electronic, 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 BiCrO3 has a large spontaneous polarization of 73.9 μC/cm2 along the rhombohedral [111] direction.
Published: 31 October 2014
PACS:  75.30.Gw (Magnetic anisotropy)  
  77.84.Lf (Composite materials)  
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https://cpl.iphy.ac.cn/10.1088/0256-307X/31/10/107501       OR      https://cpl.iphy.ac.cn/Y2014/V31/I10/107501
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DING Jun
KANG Xiu-Bao
WEN Li-Wei
LI Hai-Dong
ZHANG Jian-Min
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