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On the structure of tungstate-tellurite glasses

机译:钨酸盐-碲玻璃的结构

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摘要

A continuous network model of xWO(3)-(1 - x)TeO2 glasses is developed, based on quantum-chemical calculation and Raman spectra analysis, in order to relate the structural and vibrational properties with glass composition. The tungstate-tellurite glass network is shown to be formed mainly by structural units of three types, TeO4 trigonal bipyramids, O=TeO2 trigonal pyramids, and WO6 octahedra with O=W double bonds. Most of the W atoms are found to be incorporated into single O=WO5 octahedra, with no more than several percents of these atoms occurring in 2[O=WO5] Paired tungstate centers. The structural and vibrational properties of tungstate-tellurite glasses of several compositions are analyzed by application of the model and a novel interpretation of the Raman spectra is suggested. (c) 2006 Elsevier B.V. All rights reserved.
机译:基于量子化学计算和拉曼光谱分析,建立了xWO(3)-(1-x)TeO2玻璃的连续网络模型,以将结构和振动特性与玻璃成分联系起来。钨-碲玻璃网络主要由以下三种类型的结构单元形成:TeO4三角双锥体,O = TeO2三角锥体和具有O = W双键的WO6八面体。发现大多数W原子被掺入单个O = WO5八面体中,其中不超过百分之几的原子出现在2 [O = WO5]配对的钨酸盐中心。通过该模型的应用,分析了几种组成的钨-碲玻璃的结构和振动性能,并提出了对拉曼光谱的新颖解释。 (c)2006 Elsevier B.V.保留所有权利。

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