考虑二维ES势垒的薄膜生长动力学MonteCarlo模型  

Kinetic Monte Carlo Simulation of Thin Film Growth Including Two-dimensional Ehrlich-Schwoebel Barrier

作　　者：朱祎国[1] 荣海波[1] 

机构地区：[1]大连理工大学工业装备结构分析国家重点实验室大连理工大学工程力学系,大连116024

出　　处：《材料研究学报》2012年第2期119-124,共6页Chinese Journal of Materials Research

基　　金：国家重点基础研究发展计划2005CB321704;国家自然科学基金10925209;中央高校基本科研业务费专项资金DUT10LK42资助项目~~

摘　　要：考虑了原子在发生层间扩散过程中Ehrlich-Schwoebel势垒的作用,构造了四边形基底表面上薄膜三维生长的动力学Monte Carlo(MC)模型。在这个模型中,原子表面运动的三种动力学过程包括沉积、扩散和脱附过程,它们相互影响又相互独立,依据各自的概率发生。在不同生长条件下,模拟出薄膜的三种生长模式以及相应的薄膜三维生长形貌图。对计算结果的分析表明,ES势垒和在ES势垒作用下基底温度和沉积速率等因素对薄膜的三维生长模式有重要影响。A kinetic Monte Carlo model describing the three-dimensional thin film growth on square lattice substrates was presented, in which the two-dimensional Ehrlich-Schwoebel barrier for an adatom to diffuse down a surface step was taken into account. Three principle dynamic processes, namely deposition, diffusion and re-evaporation were included in the description of surface motion of the adatoms. It is considered that these three dynamic processes are interact on each other and will occur randomly according to their rates. Three growth modes and corresponding island morphologies under different growth conditions were simulated. By analysing the simulate results, It is educed that the important influence of Ehrlich-Schwoebel Barrier on surface morphology, and under the action of Ehrlich-Schwoebel Barrier, the temperature of substrate and deposition rate also play an important role in thin film growth modes.

关 键 词：材料科学基础学科 薄膜生长 动力学Monte Carlo模型 二维ES势垒 形貌 

分 类 号：O484[理学—固体物理]