Everything you always wanted to know about the Debye–Waller factor but were afraid to ask

IF 3.6 2区材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY

IUCrJ Pub Date : 2025-07-01 DOI:10.1107/S2052252525004968

Richard Dronskowski

引用次数: 0

Abstract

Combining improved diffraction methods, modeling approaches and advanced computations allows for a detailed understanding of atomic thermal motions in crystals. Thus, the Topical Review by Hoser & Madsen [(2025). IUCrJ12, 421–434] covers the Debye–Waller factor, the importance of anisotropic displacement parameters, and the interplay of experiment and theory to accurately capture collective atomic vibrations in molecular crystals.

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关于德拜-沃勒因素你一直想知道但又不敢问的一切。

结合改进的衍射方法、建模方法和先进的计算方法，可以详细了解晶体中的原子热运动。因此，Hoser & Madsen的专题综述涵盖了Debye-Waller因子，各向异性位移参数的重要性，以及实验和理论的相互作用，以准确捕获分子晶体中的集体原子振动。

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

IUCrJ CHEMISTRY, MULTIDISCIPLINARYCRYSTALLOGRAPH-CRYSTALLOGRAPHY

CiteScore

7.50

自引率

5.10%

发文量

审稿时长

10 weeks

期刊介绍： IUCrJ is a new fully open-access peer-reviewed journal from the International Union of Crystallography (IUCr). The journal will publish high-profile articles on all aspects of the sciences and technologies supported by the IUCr via its commissions, including emerging fields where structural results underpin the science reported in the article. Our aim is to make IUCrJ the natural home for high-quality structural science results. Chemists, biologists, physicists and material scientists will be actively encouraged to report their structural studies in IUCrJ.