The coordination number calculation from total structure factor measurements
The coordination number calculation from total structure factor measurements
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根据总结构因子测量计算配位数
DOI：
10.1016/j.jnoncrysol.2008.12.027
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发表时间：
2009
影响因子：
3.5
通讯作者：
A. Pradel
中科院分区：
文献类型：
--
作者：
V. Cristiglio;G. Cuello;A. Piarristeguy;A. Pradel
在非晶材料的结构表征中，相关距离和配位数的知识具有至关重要的意义。当几个相关距离在同一衍射图上重叠时，获得配位数是一个相当困难的任务。本文详细介绍了由总结构因子测量得到配位数的方法。该方法主要用于中子衍射实验，但也适用于x射线衍射实验。为了说明这种方法，我们选择了硫系玻璃（Ag25Ge18.75Se56.25）作为例子，它是中子衍射研究过的一系列离子导体中的一员。特别讨论了第一个衍射峰对应的配位数，包括Ge-Se和Se-Se相关。
In the structural characterization of amorphous materials, the knowledge of the correlation distances and coordination numbers has a key importance. When several correlation distances overlap in the same diffractogram, obtaining the coordination numbers is a quite difficult task. In this work the method to obtain coordination numbers from total structure factor measurements is described in detail. The procedure is focussed in neutron diffraction experiments, but it is also applicable for X-ray diffraction. In order to illustrate the method, it was chosen as example a chalcogenide glass (Ag25Ge18.75Se56.25), a member of a series of ionic conductors that have been studied by neutron diffraction. In particular, the coordination numbers corresponding to the first diffraction peak, involving Ge–Se and Se–Se correlations, are discussed.