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

doi:10.1088/1674-1056/21/8/087103

中国物理B ›› 2012, Vol. 21 ›› Issue (8): 87103-087103.doi: 10.1088/1674-1056/21/8/087103

• CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES • 上一篇下一篇

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

冯宏剑

Department of Physics, Northwest University, Xi'an 710069, China

收稿日期:2012-03-09 修回日期:2012-04-11 出版日期:2012-07-01 发布日期:2012-07-01

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

Received:2012-03-09 Revised:2012-04-11 Online:2012-07-01 Published:2012-07-01
Contact: Feng Hong-Jian E-mail:fenghongjian@gmail.com

摘要/Abstract

摘要： 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 e_g-e_g 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.

关键词: Dzyaloshinskii-Moriya interaction, density of states, BiCrO₃

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 e_g-e_g 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.

Key words: Dzyaloshinskii-Moriya interaction, density of states, BiCrO₃

中图分类号: (Density functional theory, local density approximation, gradient and other corrections)

71.15.Mb

75.30.Et (Exchange and superexchange interactions) 75.30.Gw (Magnetic anisotropy)

冯宏剑 . Magnetization reversal within Dzyaloshinskii–Moriya interaction under on-site Coulomb interaction in BiCrO₃[J]. 中国物理B, 2012, 21(8): 87103-087103.

Feng Hong-Jian (冯宏剑 ). Magnetization reversal within Dzyaloshinskii–Moriya interaction under on-site Coulomb interaction in BiCrO₃[J]. Chin. Phys. B, 2012, 21(8): 87103-087103.

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

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

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