Institute of Physics, Chemnitz University of Technology, D-09107 Chemnitz, Germany.
J Phys Condens Matter. 2010 Oct 13;22(40):404205. doi: 10.1088/0953-8984/22/40/404205. Epub 2010 Sep 22.
(Ge(0.2)Se(0.8))(100-x)In(x) and (Ge(0.17)Se(0.83))(100-x)In(x) (x = 0, 5, 10, 15 at.%) chalcogenide glasses have been studied with high-energy x-ray diffraction, neutron diffraction and extended x-ray absorption spectroscopy at Ge, Se and In K-edges. The experimental data were modelled simultaneously with the reverse Monte Carlo simulation method. GeSe(4/2) tetrahedra are shown to be the main structural units in the binary and ternary glasses investigated. Indium bonds to the excess Se atoms in the ternary Ge-Se-In glasses. While the majority of In atoms have three Se neighbours, some In atoms may be tetrahedrally coordinated by Se.
用高能 X 射线衍射、中子衍射和扩展 X 射线吸收光谱法研究了（Ge(0.2)Se(0.8))(100-x)In(x) 和 (Ge(0.17)Se(0.83))(100-x)In(x)（x = 0、5、10、15 at.%）硫属玻璃在 Ge、Se 和 In K 边的情况。用反向蒙特卡罗模拟法对实验数据进行了同时模拟。结果表明，GeSe(4/2)四面体是二元和三元玻璃中主要的结构单元。铟与三元 Ge-Se-In 玻璃中的过剩 Se 原子键合。虽然大多数 In 原子有三个 Se 邻原子，但一些 In 原子可能由 Se 四面体配位。
