Journal of Non-Crystalline Solids ( IF 3.5 ) Pub Date : 2020-03-03 , DOI: 10.1016/j.jnoncrysol.2020.119884 Navjot Kaur , Atul Khanna , Margit Fábián , Shankar Dutt
Structural, thermal and electrical properties of semiconducting copper tellurite glasses: xCuO-(100-x)TeO2 (x = 30, 40 and 50 mol%) were studied by neutron diffraction, Raman spectroscopy, thermal analysis and two probe electrical conductivity measurements. Reverse Monte Carlo simulations of the neutron structure factors found that TeO and CuO bonds have equal lengths of 1.94 Å and that both Te and Cu ions exist in structural units of similar size and geometry. The average CuO co-ordination decreases from 3.72 to 3.68, while the TeO co-ordination decreases from 3.48 to 3.34 on increasing the CuO concentration from 30 to 50 mol%. The electrical conductivity increases from 2.96 × 10−9 Ω−1 m−1 to 1.25 × 10−7 Ω−1 m−1 with an increase in CuO concentration from 30 to 50 mol%. The increase in CuO mol% increases the CuCu coordination number from 0.68 to 1.26 and promotes electronic hopping between the adjacent Cu sites.
中文翻译:
半导体xCuO-(100-x)TeO 2玻璃的结构和电特性
通过中子衍射,拉曼光谱,热分析和两探针电导率测量研究了半导电铜碲酸盐玻璃的结构,热学和电学性质:xCuO-(100-x)TeO 2(x = 30、40和50 mol%)。对中子结构因子的反向蒙特卡洛模拟发现,Te O和Cu O键的长度相等,为1.94Å,并且Te和Cu离子都以相似的尺寸和几何结构存在。CuO的平均配比从3.72降低到3.68,而Te O的配比在CuO浓度从30 mol%增加到3.34时降低。从2.96×10的电导率增加-9 Ω -1 米-1至1.25×10 -7 Ω -1 米-1与30至50摩尔%的CuO中浓度的增加。CuO mol%的增加使Cu- Cu配位数从0.68增加到1.26,并促进了相邻Cu位点之间的电子跳跃。