Symmetr: 一种用于确定晶体对称性质的 Python 包
Symmetr: a Python package for determining symmetry properties of crystals
AI总结:
Symmetr 是一个用于分析晶体对称性质的 Python 工具,特别适用于磁性材料的响应张量和磁相互作用分析。
摘要:
凝聚态化合物通常形成晶体,其破坏了空间的旋转和平移不变性,但保持在离散对称操作下的不变性。理解这种对称破缺所允许的影响,以及晶体结构所施加的约束,是凝聚态物理中的关键问题。本文介绍了一个 Python 包,用于确定描述晶体物理性质张量的对称受限形式,特别关注磁性材料。主要关注响应张量;然而,该程序也可描述平衡性质和其他物理性质,如磁相互作用。该程序可使用传统磁空间群或描述非相对论极限的自旋群来描述对称性。此外功能包括对特定站点投影量的处理以及磁序参数展开。该代码可通过命令行或 Python API 使用。
英文摘要:
Condensed matter compounds typically form crystals, which break the rotational and translational invariance of space but remain invariant under a discrete set of symmetry operations. Understanding the effects allowed by this symmetry breaking, as well as the constraints imposed by the crystal structure, is a crucial problem in condensed matter physics. Here, we present a Python package for determining the symmetry-restricted forms of tensors describing physical properties of crystals, focusing particularly on magnetic materials. The primary focus is on response tensors; however, the program can also describe equilibrium properties and other physical properties, such as magnetic interactions. The program can describe the symmetry using the conventional magnetic space groups, as well as using the spin groups that describe the non-relativistic limit. Additional functionality includes the treatment of quantities projected onto a particular site and expansions in the magnetic order parameter. The code can be used either from the command line or via a Python API.
机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。