动力学MonteCarlo模拟原子相互作用对薄膜外延生长的影响  

Influence of Two-atom Interaction Energies on Epitaxial Growth Kinetic Simulated by Monte Carlo

作　　者：杨晓萍[1] 郑殊[1] 王正汹[1] 刘悦[1] 

机构地区：[1]大连理工大学物理与光电工程学院,辽宁大连116024

出　　处：《纳米科技》2011年第3期1-4,27,共5页

基　　金：基金项目：国家科技计划ITER计划专项（2009GB105004）,973科技ITER计划项目（2010GB106002）,国家自然科学基金项目（11005015）

摘　　要：运用动力学蒙特卡罗方法模拟两种原子组成的薄膜外延生长时形成纳米团簇的过程。通过分析原子相互作用能和相分离的关系，发现动力学影响对纳米团簇的形貌起主导作用。给出原子发生分离时相互作用能满足的条件为（EAA＋EBB-2EAB）〉0，动力学Monte Carlo模拟结果也同样显示，在适当高的温度范围内，当两种原子的相互作用能满足（EAA＋EBB-2EAR）〉0条件时，分子外延薄膜生长会趋于相分离进而形成纳米团簇。The morphological evolution of the nanoculster formations in two-component epitaxial thin growth system is studied by the kinetic Monte Carlo simulation. The relationship between interaction energy and phase separation is analyzed. The results indicates that the kinetic effect plays an important role in controlling the morphology of epitaxial film nanoclusters. A essential condition for the phase separation,（EAA＋E88-2EAR）〉0 is proposed. The simulation results obtained by kinetic Monte Carlo method are good agreement with the theoretical results. It is also shown that in a suitable high temperature system the growth can tend to phase separation and form nanoeulsters, only when the interatomic bond energies satisfy the inequality of （EAA＋EBB-2EAR）〉0.

关 键 词：动力学蒙特卡罗模拟 处延生长 纳米团簇 相分离 

分 类 号：TB332[一般工业技术—材料科学与工程]