紧束缚分子动力学研究硅团簇(n=20)的稳定结构

The Study of the Stable Structure of Silicon Clusters(n=20) from the Perspective of Tight Binding Molecular Dynamics

利用紧束缚分子动力学模拟了硅团簇(n =2 0 )在不同条件下的稳定结构,分析并比较了它们的构型和结合能的大小,结果发现模拟退火温度在 1 70

The stable structure of Silicon Clusters( n=20 ) in different conditions is stimulated with the help of tight binding molecular Dynamics. Their structures and combination capabilities are analyzed and compared. It is found that the most stable structure appears when the simulative annealing temperature is 1700K.