首页> 外文会议>Symposium on Optical Microstructural Characterization of Semiconductors held November 29-30, 1999, Boston, Massachusetts, U.S.A. >Hybridization in electronic states and optical properties of covalent amorphous semiconductors
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Hybridization in electronic states and optical properties of covalent amorphous semiconductors

机译:电子态杂化与共价非晶半导体的光学性质

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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 tight binding model is used in which the interatomic transfer energy of an electron between neearest neighbor atoms depends linearly on their interatomic distance. All the electronic states are numerically calculated for a 150-atom system and the ensemble avrage 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 gap remains 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 and conduction bands and is related to an electron localization caused by the spatial correlation.
机译:从理论上研究共价非晶半导体的电子结构和光学性质,并特别注意电子态中的sp杂化及其混合中的空间相关性使用一维紧密结合模型,该模型中电子在最近邻之间的原子间转移能原子线性地取决于它们的原子间距离。对于150个原子的系统,将对所有电子状态进行数值计算,然后对10个样本进行整体平均。获得了以下结果。随着随机性程度的增加,杂交程度降低,并且共价键发生重排。带隙的宽度减小,但是与忽略空间相关性的情况相比,该间隙保持相当长。在光吸收光谱中出现一个特征峰,该峰反映了价带和导带中状态的部分(s-或p-)密度的中心峰,并与空间相关性引起的电子局部化有关。

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