Structure of Se-Te glasses studied using neutron, X-ray diffraction and reverse Monte Carlo modelling

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• 作者：Keiji Itoh^a ; ^b ; ^{itoh@okayama-u.ac.jp}
• 关键词：Neutron diffraction ; X-ray diffraction ; Chalcogenide glass ; Atomic scale structure
• 刊名：Journal of Solid State Chemistry
• 出版年：2017
• 出版时间：February 2017
• 年：2017
• 卷：246
• 期：Complete
• 页码：372-378
• 全文大小：805 K
• 卷排序：246

文摘

Pulsed neutron diffraction and synchrotron X-ray diffraction measurements were performed on Se100-xTex bulk glasses with x=10, 20, 30 and 40. The coordination numbers obtained from the diffraction results demonstrate that Se and Te atoms are twofold coordinated and the glass structure is formed by the chain network. The three-dimensional structure model for Se60Te40 glass obtained by using reverse Monte Carlo modelling shows that the alternating arrangements of Se and Te atoms compose the major part of the chain clusters but several other fragments such as Sen chains and Te-Te dimers are also present in large numbers. The chain clusters have geometrically disordered forms and the interchain atomic order is different from those in the crystal structures of trigonal Se and trigonal Te.