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磁性点群对称性对张量性质的筛选:PythMPG 代码包

Screening of tensor properties by magnetic point group symmetries: The PythMPG code package

Andrea Urru, Turan Birol, Trey Cole, David Vanderbilt

arXiv 2610.10024首次发表:更新:

发表机构

Rutgers University; University of Cagliari; University of Minnesota(罗格斯大学; 卡利亚里大学; 明尼苏达大学)

机构由 AI 辅助整理,请以论文原文为准。

AI 中文总结

本文介绍 PythMPG 代码包,用于基于磁性点群对称性自动筛选张量性质,确定各磁性点群允许的张量及其独立分量数量,并展示代码结构与示例。

AI 中文摘要

在凝聚态物理中,理解允许特定现象或物理效应存在的对称性要求,对于识别表现出一种或多种这些效应的候选材料至关重要。为此,基于(磁性)点群对称性筛选张量性质尤其具有意义。在此,我们介绍 PythMPG 代码包,这是一个专为此目的设计的工具。受 Bilbao 晶体学服务器的 MTENSOR 工具的启发,PythMPG 以自包含的方式进行对称性分析,以确定由 Jahn 符号表征的哪些张量被允许用于每个磁性点群,以及每个张量拥有多少个对称性允许的独立分量。我们描述了代码的结构,并给出了一些说明性示例。

英文摘要

Understanding the symmetry requirements that permit specific phenomena or physical effects is crucial in condensed matter physics for identifying candidate materials that exhibit one or more of these effects. To this end, screening tensor properties based on (magnetic) point-group symmetries is of particular interest. Here, we present the PythMPG code package, a tool designed for this purpose. Inspired by the MTENSOR utility of the Bilbao Crystallographic Server, PythMPG performs symmetry analysis in a self-contained way to determine which tensors, characterized by their Jahn symbols, are allowed for each magnetic point group and how many symmetry-allowed independent components each tensor possesses. We describe the structure of the code and present some illustrative examples.

Comments12 pages

论文原文

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