Classification of atomic-scale multipoles under crystallographic point groups and application to linear response tensors
Classification of atomic-scale multipoles under crystallographic point groups and application to linear response tensors
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DOI：
10.1103/physrevb.98.165110
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发表时间：
2018-10-08
影响因子：
3.7
通讯作者：
Kusunose, Hiroaki
中科院分区：
文献类型：
--
作者：
Hayami, Satoru;Yatsushiro, Megumi;Kusunose, Hiroaki
四种原子尺度的多极(电、磁、磁环和电环向多极)给出了描述耦合电荷、自旋和电子轨道的任意自由度的完整集合。本文针对凝聚态物理中的应用，对这些多极自由度进行了系统的分类。从实空间旋转群下的多极描述出发，推广了具有自旋自由度的动量空间中的多极概念。给出了多极子对电子能带结构和线性响应的影响，如磁电效应、磁流效应、自旋电导、压电效应等。此外，我们还展示了一个完整的表来表示32个结晶学点群下的活性多极。我们的全面和系统的分析将为确定神秘的电子序参数提供基础，并为从微观角度评价凝聚态物理中特殊的交叉关联现象提供指导。
Four types of atomic-scale multipoles (electric, magnetic, magnetic toroidal, and electric toroidal multipoles) give a complete set to describe arbitrary degrees of freedom for coupled charge, spin, and orbital of electrons. We here present a systematic classification of these multipole degrees of freedom towards the application in condensed matter physics. Starting from the multipole description under the rotation group in real space, we generalize the concept of multipoles in momentum space with the spin degree of freedom. We show how multipoles affect the electronic band structure and linear responses, such as the magnetoelectric effect, magnetocurrent (magnetogyrotropic) effect, spin conductivity, piezoelectric effect, and so on. Moreover, we exhibit a complete table to represent the active multipoles under 32 crystallographic point groups. Our comprehensive and systematic analyses will give a foundation to identify enigmatic electronic order parameters and a guide to evaluate peculiar cross-correlated phenomena in condensed matter physics from the microscopic point of view.