张量对称:一种获得对称适应张量的方法,解纠缠自旋-轨道耦合效应并建立与磁序的解析关系

IF 3.4 2区 物理与天体物理 Q1 COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS
Rui-Chun Xiao , Yuanjun Jin , Zhi-Fan Zhang , Zi-Hao Feng , Ding-Fu Shao , Mingliang Tian
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引用次数: 0

摘要

输运效应、光学效应和电磁效应上的对称约束响应张量在凝聚态物理中具有中心重要性,因为它们可以指导实验检测和验证理论计算。这些张量包含各种形式,包括极性,轴向,i型(时间反转偶数)和c型(时间反转奇数)矩阵。然而,常用的磁群不能描述磁性材料中没有自旋轨道耦合(SOC)效应的现象,不能建立磁阶与响应张量之间的解析关系。发展这两个方面的方法对理论和实验都有很高的要求。本文综合运用磁群、自旋群和外在参数方法研究了对称约束响应张量,并在“TensorSymmetry”平台上实现了上述方法。利用该封装,我们可以得到不受荷电性影响的响应张量,并建立了与磁序的解析关系,为磁性材料的理论和实验研究提供了有益的指导。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
TensorSymmetry: a package to get symmetry-adapted tensors disentangling spin-orbit coupling effect and establishing analytical relationship with magnetic order
The symmetry-constrained response tensors on transport, optical, and electromagnetic effects are of central importance in condensed matter physics because they can guide experimental detections and verify theoretical calculations. These tensors encompass various forms, including polar, axial, i-type (time-reversal even), and c-type (time-reversal odd) matrixes. The commonly used magnetic groups, however, fail to describe the phenomena without the spin-orbit coupling (SOC) effect and cannot build the analytical relationship between magnetic orders with response tensors in magnetic materials. Developing approaches on these two aspects is quite demanding for theory and experiment. In this paper, we use the magnetic group, spin group, and extrinsic parameter method comprehensively to investigate the symmetry-constrained response tensors, then implement the above method in a platform called "TensorSymmetry". With the package, we can get the response tensors disentangling the effect free of SOC and establish the analytical relationship with magnetic order, which provides useful guidance for theoretical and experimental investigation for magnetic materials.
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来源期刊
Computer Physics Communications
Computer Physics Communications 物理-计算机:跨学科应用
CiteScore
12.10
自引率
3.20%
发文量
287
审稿时长
5.3 months
期刊介绍: The focus of CPC is on contemporary computational methods and techniques and their implementation, the effectiveness of which will normally be evidenced by the author(s) within the context of a substantive problem in physics. Within this setting CPC publishes two types of paper. Computer Programs in Physics (CPiP) These papers describe significant computer programs to be archived in the CPC Program Library which is held in the Mendeley Data repository. The submitted software must be covered by an approved open source licence. Papers and associated computer programs that address a problem of contemporary interest in physics that cannot be solved by current software are particularly encouraged. Computational Physics Papers (CP) These are research papers in, but are not limited to, the following themes across computational physics and related disciplines. mathematical and numerical methods and algorithms; computational models including those associated with the design, control and analysis of experiments; and algebraic computation. Each will normally include software implementation and performance details. The software implementation should, ideally, be available via GitHub, Zenodo or an institutional repository.In addition, research papers on the impact of advanced computer architecture and special purpose computers on computing in the physical sciences and software topics related to, and of importance in, the physical sciences may be considered.
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