低能电子衍射表面结构分析中引入全局优化算法--遗传算法的研究

STUDY ON THE APPLICATION OF GLOBAL OPTIMIZATION AL GORITHMS-GENETIC ALGORITHMS IN LEED STRUCTURE DETER MINATION

摘要: 将遗传算法(GAs)应用到低能电子衍射(LEED)表面结构分析方法中,编制了Gas-LEED结构自动搜寻的计算程序,并以Pt(111)-p(2×2)O吸附系统为例,获得了具有全局优化特点的结构参数。

Abstract: The genetic algorithms(GAs) is applied for the low electron energy diffraction(LEED) calculation. A computer program GAs-LEED has been developed to perform the automatic search of surface structure. It is found that the GAs-LEED analysis of Pt(111)-p(2×2)0 shows a global minimum in the parameter space.