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Magnetization reversal within Dzyaloshinskii–Moriya interaction under on-site Coulomb interaction in BiCrO3 |
| Feng Hong-Jian (冯宏剑 ) |
| Department of Physics, Northwest University, Xi'an 710069, China |
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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.
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Received: 09 March 2012
Revised: 11 April 2012
Accepted manuscript online:
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PACS:
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71.15.Mb
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(Density functional theory, local density approximation, gradient and other corrections)
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75.30.Et
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(Exchange and superexchange interactions)
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75.30.Gw
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(Magnetic anisotropy)
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Corresponding Authors:
Feng Hong-Jian
E-mail: fenghongjian@gmail.com
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Cite this article:
Feng Hong-Jian (冯宏剑 ) Magnetization reversal within Dzyaloshinskii–Moriya interaction under on-site Coulomb interaction in BiCrO3 2012 Chin. Phys. B 21 087103
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