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摘要: 采用Monte Carlo技术模拟高温退火物理过程,用计算机建立了非晶硅无序网络模型,它具有十分接近真实样品的结构特性。还用分子动力学方法得到该模型的振动态密度,研究了它的几何缺陷与局域振动模的关系。
Abstract: We have performed simulating annealing in computer by using Monte Carlo technique to produce a random-network model of amorphous silicon. The structural characteristics of this model is in good agretment with that of real sample. Its vibrationol densities of states have been calculated with molecular-dynamics method. The relationships between its locaiized vibrational modes and the structural defects have also been discussed.