Intermediate-range structure of amorphous GeSe2 alloy
Intermediate-range structure of amorphous GeSe2 alloy
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DOI：
10.1016/j.msea.2005.12.101
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发表时间：
2007-03
期刊：
影响因子：
6.4
通讯作者：
Y. Murakami;T. Usuki;M. Sakurai;S. Kohara
中科院分区：
文献类型：
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作者：
Y. Murakami;T. Usuki;M. Sakurai;S. Kohara
为了研究快速淬火法制备的非晶GeSe2的详细结构，在KENS-KEK和SPring-8上进行了中子和高能X射线衍射测量。从散射矢量的低磁化物处出现的第一个尖锐衍射峰可以明显看出相当大的中间范围有序性。在配对分布函数 g(r) 的 2.36 和 3.90Å 附近发现了明确定义的第一和第二峰。在 g(r) 中第二个峰的较短 r 侧观察到与共享边四面体单元的存在相关的小肩部。通过逆蒙特卡罗模拟可以获得部分分布函数、部分结构因子和键角分布。结果表明，四面体结构单元中存在同极性键，玻璃网络不仅由共角四面体构成，而且由共边四面体构成。
Neutron and high-energy X-ray diffraction measurements have been carried out at KENS-KEK and SPring-8, in order to investigate detailed structures of amorphous GeSe2prepared by the rapid quenching method. Considerable intermediate-range ordering is evident from the presence of a first sharp diffraction peak at low magnetides of the scattering vector. Well-defined first and second peaks are found at around 2.36 and 3.90Å in the pair distribution function g(r). A small shoulder related to the existence of edge-sharing tetrahedral units is observed at a shorter r side of the second peak in g(r). Partial distribution functions, partial structure factors and bond-angle distributions can be obtained by Reverse Monte Carlo simulation. Results suggest that there are homo-polar bonds in tetrahedral structural units, and then the glass network is constructed by not only corner-sharing but also edge-sharing tetrahedra.