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Hybridization in electronic states and optical properties of covalent amorphous semiconductors

机译:共价非晶半导体的电子状态杂交和光学性质

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The electronic structure and optical properties of covalent amorphous semiconductors are theoretically studied with special attention to the s-p hybridization in electronic states and the spatial correlation in their mixing. One-dimensional tightbinding model is used in which the interatomic transfer energy of an electron between nearest neighbor atoms depends linearly on their interatomic distance. All the electronic states are numerically calculated for a 150-atom system and the ensembleaverage is taken over 10 samples. Following results have been obtained. As the degree of randomness increases, the degree of hybridization decreases and rearrangements in the covalent bonds take place. The width of the band gap decreases but the gapremains rather long compared to a case where the spatial correlation is neglected. There appears a characteristic peak in the optical absorption spectrum, which reflects central peaks in the partial (s- or p-) density of states in the valence andconduction bands and is related to an electron localization caused by the spatial correlation.
机译:经理论上,共价非晶半导体的电子结构和光学性质在理论上研究了电子状态中的S-P杂交和它们混合中的空间相关性。使用一维紧身骨架模型,其中最近邻原子之间的电子之间的网状转移能量在其外部组距离上线性取决于它们。所有电子状态都针对150个原子系统进行了数控计算,并且Ensembleagrage被拍摄超过10个样品。在获得以下结果。随着随机性的增加,杂交程度降低,在共价键的重排发生。波段间隙的宽度降低但与忽略空间相关的情况相比,聚谱相当长。在光学吸收光谱中出现特征峰,其反射了价和电导带中状态的部分(S-或P +)密度中的中心峰,并且与由空间相关引起的电子定位有关。

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