Egorov Sergei A, Litvin Daniel B, Bandura Andrei V, Evarestov Robert A
Department of Chemistry, University of Virginia, Charlottesville, VA 22901, United States of America.
Institute of Physics, Johannes Gutenberg University Mainz, Staudingerweg 7, 55128 Mainz, Germany.
J Phys Condens Matter. 2022 Jun 13;34(31). doi: 10.1088/1361-648X/ac70a0.
In this paper we report the classification of all the 81 magnetic line group families into seven spin splitting prototypes, in analogy to the similar classification previously reported for the 1651 magnetic space groups, 528 magnetic layer groups, and 394 magnetic rod groups. According to this classification, electrically induced (Pekar-Rashba) spin splitting is possible in the antiferromagnetic structures described by magnetic line groups of type I (no anti-unitary operations) and III, both in the presence and in the absence of the space inversion operation. As a specific example, a group theoretical analysis of spin splitting in CoO (8, 8) nanotube is carried out and its predictions are confirmed bydensity functional theory calculations.
在本文中，我们报告了将所有81个磁线群族分类为七个自旋分裂原型，这类似于先前对1651个磁空间群、528个磁层群和394个磁棒群所报告的类似分类。根据这种分类，在存在和不存在空间反演操作的情况下，由I型（无反酉操作）和III型磁线群描述的反铁磁结构中都可能发生电致（佩卡尔-拉什巴）自旋分裂。作为一个具体例子，对CoO(8, 8)纳米管中的自旋分裂进行了群论分析，其预测结果通过密度泛函理论计算得到了证实。
