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Structural correlations in GexSe1-x glasses - a neutron diffraction study

机译:GexSe1-x玻璃的结构相关性-中子衍射研究

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Neutron diffraction measurement is carried out on GexSe1-x glasses, where 0.1 less than or equal to x less than or equal to 0.4, in a Q interval of 0.55-13.8 Angstrom(-1). The first sharp diffraction peak (FSDP) in the structure factor, S(Q), shows a systematic increase in the intensity and shifts to a lower Q with increasing Ge concentration. The coherence length of FSDP increases with x and becomes maximum for 0.33 less than or equal to x less than or equal to 0.4. The Monte-Carlo method, due to Soper, is used to generate S(Q) and also the pair correlation function, g(r). The generated S(Q) is in agreement with the experimental data for all x. Analysis of the first four peaks in the total correlation function, T(r), shows that the short range order in GeSe2 glass is due to Ge(Se-1/2)(4) tetrahedra, in agreement with earlier reports. Se-rich glasses contain Se-chains which are cross-linked with Ge(Se-1/2)(4) tetrahedra. Ge-2(Se-1/2)(6) molecular units are the basic structural units in Ge-rich, x = 0.4, glass. For x = 0.2, 0.33 and 0.4 there is evidence for some of the tetrahedra being in an edge-shared configuration. The number of edge-shared tetrahedra in these glasses increase with increasing Ge content. (C) 1998 Elsevier Science B.V. All rights reserved. [References: 43]
机译:在GexSe1-x玻璃上进行中子衍射测量,其中Q小于或等于x小于或等于0.4,Q间隔为0.55-13.8埃(-1)。结构因子S(Q)中的第一个尖锐衍射峰(FSDP)显示出强度的系统性增加,并随着Ge浓度的增加而移至较低的Q。 FSDP的相干长度随着x的增加而增加,并在小于或等于x的0.33(小于等于0.4)时变为最大值。由于Soper,蒙特卡洛方法用于生成S(Q)以及对相关函数g(r)。生成的S(Q)与所有x的实验数据一致。对总相关函数T(r)的前四个峰的分析表明,GeSe2玻璃的短程有序是归因于Ge(Se-1 / 2)(4)四面体,与早期报道一致。富硒玻璃包含与Ge(Se-1 / 2)(4)四面体交联的Se链。 Ge-2(Se-1 / 2)(6)分子单元是富含Ge的x = 0.4玻璃中的基本结构单元。对于x = 0.2、0.33和0.4,有证据表明某些四面体处于边缘共享构型。这些玻璃中边缘共享的四面体的数量随着Ge含量的增加而增加。 (C)1998 Elsevier Science B.V.保留所有权利。 [参考:43]

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