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Magnetic and Ferroelectric Properties of BiCrO3 from First-Principles Calculations

  • 1College of Science, Henan Institute of Engineering, Zhengzhou 451191

  • 2College of Physics and Energy, Fujian Normal University, Fuzhou 350117

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  • Revised Date: September 21, 2014
  • Published Date: September 30, 2014
    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.
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