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体心立方铁磁光效应的能带结构分析

Band structure analysis of the magneto-optical effect in bcc Fe.

作者信息

Stejskal Ondřej, Veis Martin, Hamrle Jaroslav

机构信息

Faculty of Mathematics and Physics, Charles University, Prague, Czech Republic.

出版信息

Sci Rep. 2021 Oct 25;11(1):21026. doi: 10.1038/s41598-021-00478-1.

DOI:10.1038/s41598-021-00478-1
PMID:34697375
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC8546123/
Abstract

Magneto-optical effects are among the basic tools for characterization of magnetic materials. Although these effects are routinely calculated by the ab initio codes, there is very little knowledge about their origin in the electronic structure. Here, we analyze the magneto-optical effect in bcc Fe and show that it originates in avoided band-crossings due to the spin-orbit interaction. Therefore, only limited number of bands and k-points in the Brillouin zone contribute to the effect. Furthermore, these contributions always come in pairs with opposite sign but they do not cancel out due to different band curvatures providing different number of contributing reciprocal points. The magneto-optical transitions are classified by the dimensionality of the manifold that is formed by the hybridization of the generating bands as one- or two-dimensional, and by the position relative to the magnetization direction as parallel and perpendicular. The strongest magneto-optical signal is provided by two-dimensional parallel transitions.

摘要

磁光效应是表征磁性材料的基本工具之一。尽管这些效应通常由从头算代码计算得出，但对于它们在电子结构中的起源却知之甚少。在此，我们分析了体心立方铁中的磁光效应，并表明它起源于由于自旋轨道相互作用导致的能带交叉回避。因此，布里渊区中只有有限数量的能带和k点对该效应有贡献。此外，这些贡献总是成对出现且符号相反，但由于能带曲率不同，提供的贡献倒易点数量不同，它们不会相互抵消。磁光跃迁根据由生成能带杂化形成的流形的维度分为一维或二维，以及根据相对于磁化方向的位置分为平行和垂直。最强的磁光信号由二维平行跃迁提供。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/54a0/8546123/82b8825fb885/41598_2021_478_Fig9_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/54a0/8546123/b5ead2e17b5d/41598_2021_478_Fig1_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/54a0/8546123/e9d75e2c63b9/41598_2021_478_Fig2_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/54a0/8546123/5b248b5b6fa4/41598_2021_478_Fig3_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/54a0/8546123/1b45c3a26026/41598_2021_478_Fig4_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/54a0/8546123/8f9f24b9da7c/41598_2021_478_Fig5_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/54a0/8546123/761ddbf2aa5a/41598_2021_478_Fig6_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/54a0/8546123/327e10467556/41598_2021_478_Fig7_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/54a0/8546123/a44395c48fec/41598_2021_478_Fig8_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/54a0/8546123/82b8825fb885/41598_2021_478_Fig9_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/54a0/8546123/b5ead2e17b5d/41598_2021_478_Fig1_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/54a0/8546123/e9d75e2c63b9/41598_2021_478_Fig2_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/54a0/8546123/5b248b5b6fa4/41598_2021_478_Fig3_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/54a0/8546123/1b45c3a26026/41598_2021_478_Fig4_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/54a0/8546123/8f9f24b9da7c/41598_2021_478_Fig5_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/54a0/8546123/761ddbf2aa5a/41598_2021_478_Fig6_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/54a0/8546123/327e10467556/41598_2021_478_Fig7_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/54a0/8546123/a44395c48fec/41598_2021_478_Fig8_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/54a0/8546123/82b8825fb885/41598_2021_478_Fig9_HTML.jpg

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