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无机材料学报

无机材料学报

• 研究论文 • 上一篇    下一篇

Ge-As-Te玻璃结构的X射线衍射和RMC模拟研究

张久明; 杜金成; 赵修建; 谢康   

  1. 武汉工业大学材料复合新技术国家实验室; 武汉 430070
  • 收稿日期:1998-06-06 修回日期:1998-09-10 出版日期:1999-06-20 网络出版日期:1999-06-20

Study on the Structure of Ge-As-Te Glass by X-ray Diffraction and Reverse Monte Carlo Simulation

ZHANG Jiu-Ming; DU Jill-Cheng; ZHAO Xiu-Jian; XIE Kang   

  1. State Key Laboratory of Advanced Technology for Materials Synthesis and Processing; Wuhan University of Technology Wuhan 430070 China
  • Received:1998-06-06 Revised:1998-09-10 Published:1999-06-20 Online:1999-06-20

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900

被引次数

1

摘要： 本文通过X射线衍射分析和逆蒙特卡洛（RMC）计算机模拟，得到Ge10As18Te72玻璃中，Ge、As原子的平均配位数分别为355、3，平均每个Te与0．8个Te原子配位成键；玻璃网络结构为变形的[GeTe4]四面体和[AsTe3]、[GeTe3]三角锥通过-As（Ge）Te－As（Ge）链连接起来的；Ge15As45Te40玻璃中存在中程有序结构，结构复杂，平均每个Ge原子与1.8个Te原子和1.1个As原子相配位，平均每个As原子与1.3个Te原子和1.0个As原子相配位；后者中的Ge－Te、As－Te键长相应地小于前者．

关键词: X射线衍射, 逆蒙特卡洛, 硫系玻璃, 网络结构

Abstract: The structure of two Ge-As-Te glasses with compositions of Ge10As18Te72 and Ge15As45Te40 were studied by X-ray diffraction radial
distribution function analysis and Reverse Monte Carlo simulation. In the Ge10As18Te72 glass, the Ge, As and Te atoms are bonded on average
to 3.55, 3 and 0.8 Te atoms, respectively. The structure of the investigated Ge10As18Te72 glass can be described as netwok of distorted GeTe_4 tetrahedra
and AsTe3 (GeTe3) pyramidal units , connected by --As(Ge)--Te--As(Ge)-- chain-like elements; In the Ge15As45Te40 glass, there is one medium-range order dependent
X-ary scattering feature, i.e.,the first sharp diffraction peak(FSDP). The Ge atoms are bonded on average to 1.8 Te atoms and 1.1 As atoms. The As atoms are
bonded on average to 1.3 Te atoms and 1.0 As atoms. And the length of the Ge--Te bonds and As--Te bonds is shorter in the latter than in the former, respectively.

Key words: X-ray diffraction, Reverse Monte Carlo, chalcogenide, network

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