异质薄膜外延生长中温度对失配位错出现厚度的影响

Temperature effect on appearance thickness of misfit dislocations in heterogeneous epitaxial films

采用三维分子动力学模拟方法,使用Ercolessi和Adams建立的嵌入原子法(EAM)多体势函数,模拟了二维晶格失配铝膜晶体中失配位错的形成过程,通过体系结构和能量曲线两种方法研究了温度对位错出现厚度的影响.结果显示:温度对于失配位错的形成有影响.同等条件下,随着温度的升高,失配位错的出现厚度变薄.

Three-dimensional molecular dynamics simulations of the misfit dislocations formation in epi-taxial aluminum films with two-dimensional mismatch have been carried out .The embedded atom meth-od （EAM） potential ,developed by Ercolessi and Adams ,was employed for computing atomic interaction in aluminum . T he atomic structure evolution and energy variation have been used to investigate the effect of temperature on the film thickness w hen the misfit dislocation emerges .T he results show that the temperature has a strong influence on misfit dislocation formations .With the same conditions ,the appearance thicknesses of misfit dislocation in aluminum films become thinner as temperature arises .