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Chin. Phys. B, 2012, Vol. 21(8): 087103    DOI: 10.1088/1674-1056/21/8/087103
CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES Prev   Next  

Magnetization reversal within Dzyaloshinskii–Moriya interaction under on-site Coulomb interaction in BiCrO3

Feng Hong-Jian
Department of Physics, Northwest University, Xi'an 710069, China
Abstract  First-principals calculations show that the magnetization reversal is accompanying with the opposite sense of rotation of neighboring oxygen octahedra along [111] direction which is called the antiferrodistortive displacement in BiCrO3. The coupling between magnetization and antiferrodistortive distortion is mainly caused by Dzyaloshinskii-Moriya interaction which is driven by the eg-eg states antiferromagnetic interaction in Cr-3d. A critical value of on-site Coulomb interaction prohibiting the Dzyaloshinskii-Moriya interaction and thus the magnetization reversal is found to be 1.3 eV.
Keywords:  Dzyaloshinskii-Moriya interaction      density of states      BiCrO3  
Received:  09 March 2012      Revised:  11 April 2012      Published:  01 July 2012
PACS:  71.15.Mb (Density functional theory, local density approximation, gradient and other corrections)  
  75.30.Et (Exchange and superexchange interactions)  
  75.30.Gw (Magnetic anisotropy)  
Corresponding Authors:  Feng Hong-Jian     E-mail:  fenghongjian@gmail.com

Cite this article: 

Feng Hong-Jian Magnetization reversal within Dzyaloshinskii–Moriya interaction under on-site Coulomb interaction in BiCrO3 2012 Chin. Phys. B 21 087103

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