当前位置: X-MOL 学术Crys. Rev. › 论文详情
Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)
Model refinement of quasicrystals
Crystallography Reviews ( IF 3 ) Pub Date : 2017-06-22 , DOI: 10.1080/0889311x.2017.1340276
Janusz Wolny 1 , Ireneusz Bugański 1 , Radosław Strzałka 1
Affiliation  

ABSTRACT From the discovery of quasicrystals, exhibiting rotational symmetries forbidden by the classical crystallography, the idea of a quasicrystalline geometry spreads out to a great variety of scientific fields, including soft matter physics, optics, or nanotechnology. However, the atomic structure of quasicrystals is still unclear and many questions are unanswered, including the most peculiar one asked by Per Bak: ‘Where are the atoms?’ [Icosahedral crystals: where are the atoms? Phys Rev Lett. 1986;56:861–864]. To answer those questions, more detailed structural analysis needs to be done. Two approaches to the structural description and refinement are used for aperiodic crystals: the higher dimensional method, well established in the community, and the statistical method. We introduce the essence of the crystallography of quasicrystals, giving the historical background and fundamentals of the higher dimensional modelling, but focus is put on the details and application of the statistical approach. We present also a case study of the decagonal Al–Cu–{Co,Ir,Rh} phase, which is an example of the crystal structure solved using the statistical method. In the last chapter, a brief discussion of the recently developed approach of a phasonic corrective factor, alongside the effect of phonons on the atomic distribution function, is given.

中文翻译:

准晶的模型细化

摘要 从准晶体的发现开始,准晶体具有经典晶体学所禁止的旋转对称性,准晶体几何的概念扩展到了各种各样的科学领域,包括软物质物理学、光学或纳米技术。然而,准晶体的原子结构仍然不清楚,许多问题没有得到解答,包括 Per Bak 提出的最奇特的问题:“原子在哪里?” [二十面体晶体:原子在哪里?Phys Rev Lett。1986;56:861-864]。要回答这些问题,需要进行更详细的结构分析。结构描述和细化的两种方法用于非周期性晶体:高维方法,在社区中已经很好地建立,以及统计方法。我们介绍了准晶晶体学的本质,给出高维建模的历史背景和基本原理,但重点放在统计方法的细节和应用上。我们还介绍了十边形 Al-Cu-{Co,Ir,Rh} 相的案例研究,这是使用统计方法求解的晶体结构的一个例子。在最后一章中,简要讨论了最近开发的相声校正因子方法,以及声子对原子分布函数的影响。
更新日期:2017-06-22
down
wechat
bug