The coordination number calculation from total structure factor measurements

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• 作者：Viviana Cristiglio ; Gabriel J. Cuello ; Andrea A. Piarristeguy ; Annie Pradel
• 关键词：Neutron diffraction/scattering ; Chalcogenides ; Short-range order
• 刊名：Journal of Non-Crystalline Solids
• 出版年：2009
• 出版时间：1 October 2009
• 年：2009
• 卷：355
• 期：37-42
• 页码：1811-1814
• 全文大小：272 K

文摘

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 (Ag₂₅Ge_18.75Se_56.25), 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.