TensorSymmetry: a package to get symmetry-adapted tensors disentangling spin-orbit coupling effect and establishing analytical relationship with magnetic order
IF 3.4 2区 物理与天体物理Q1 COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS
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引用次数: 0
Abstract
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.
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.