Abstract The former analysis of the structural data in liquid Pb–Te alloys, based on the neutron diffraction measurements for this system, was insufficient to obtain the microscopic and spatial configurations in this system. In order to obtain these configurations, we have newly analyzed by using the Reverse Monte Carlo simulations and the method of Voronoi polyhedron. The partial structure factors S i j ( Q ) {S}_{ij}(Q) and thereby g i j ( r ) {g}_{ij}(r) are newly estimated by using the former data of neutron diffraction measurements, which are now exactly reproduced by the obtained total structure factors S ( Q ) S(Q) . From these results, it is concluded that the liquid Pb0.5Te0.5 is spatially configured by the mixture of some sorts of covalent-type formation of PbTe molecules and dissociated Pb and/or Te ions with conduction electrons, which result is completely consistent with results of electrical resistivity measurements and also with the thermodynamic analysis.

中文翻译：

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液态 Pb-Te 合金中复合物形成的结构证据

摘要 以前基于该系统的中子衍射测量对液态 Pb-Te 合金结构数据的分析不足以获得该系统的微观和空间构型。为了获得这些配置，我们使用反向蒙特卡罗模拟和 Voronoi 多面体方法进行了新的分析。部分结构因子 S ij ( Q ) {S}_{ij}(Q) 和 gij ( r ) {g}_{ij}(r) 是利用以前的中子衍射测量数据重新估计的，即现在由获得的总结构因子 S ( Q ) S(Q) 精确再现。从这些结果可以得出结论，液体 Pb0.5Te0.5 在空间上是由 PbTe 分子的某种共价型形成和离解的 Pb 和/或 Te 离子与传导电子的混合物构成的，