Magnetic space groups versus representation analysis in the investigation of magnetic structures: the happy end of a strained relationship.

IF 1.3 3区化学 Q3 CHEMISTRY, MULTIDISCIPLINARY

Acta crystallographica Section B, Structural science, crystal engineering and materials Pub Date : 2024-10-01 Epub Date: 2024-09-10 DOI:10.1107/S2052520624007479

J Rodriguez-Carvajal, J M Perez-Mato

引用次数: 0

Abstract

In recent decades, sustained theoretical and software developments have clearly established that representation analysis and magnetic symmetry groups are complementary concepts that should be used together in the investigation and description of magnetic structures. Historically, they were considered alternative approaches, but currently, magnetic space groups and magnetic superspace groups can be routinely used together with representation analysis, aided by state-of-the-art software tools. After exploring the historical antagonism between these two approaches, we emphasize the significant advancements made in understanding and formally describing magnetic structures by embracing their combined use.

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磁性空间群与磁性结构研究中的表征分析：紧张关系的幸福结局。

近几十年来，持续的理论和软件发展清楚地证明，表示分析和磁对称群是互补的概念，在研究和描述磁性结构时应同时使用。历史上，这两种方法被认为是相互替代的，但目前，在最先进软件工具的辅助下，磁空间群和磁超空间群可以与表示分析一起常规使用。在探讨了这两种方法之间的历史对立之后，我们强调了通过结合使用这两种方法，在理解和正式描述磁性结构方面取得的重大进展。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Acta crystallographica Section B, Structural science, crystal engineering and materials CHEMISTRY, MULTIDISCIPLINARYCRYSTALLOGRAPH-CRYSTALLOGRAPHY

CiteScore

3.60

自引率

5.30%

发文量

期刊介绍： Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials publishes scientific articles related to the structural science of compounds and materials in the widest sense. Knowledge of the arrangements of atoms, including their temporal variations and dependencies on temperature and pressure, is often the key to understanding physical and chemical phenomena and is crucial for the design of new materials and supramolecular devices. Acta Crystallographica B is the forum for the publication of such contributions. Scientific developments based on experimental studies as well as those based on theoretical approaches, including crystal-structure prediction, structure-property relations and the use of databases of crystal structures, are published.