Kinetic Monte Carlo法によるAI薄膜成長における島形成過程の解析

概要

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Kinetic Monte Carlo (KMC) method realizes the millisecond or second order atomistic thin film growth. Twenty five kinds of events which may occur on Al (111) surface were classified. An attempt frequency and an activation energy of each event were defined using vibration analyses and nudged elastic band (NEB) method by which the minimum energy path (MEP) can be reasonably predicted. Temperature and deposition rate dependences of Al(lll) film growth were intensively investigated in the present paper. The higher temperature and the lower rate drive the layer-by-layer film structural change. Two types of islands (fee and hep) were seen by modeling without considering the events of diffusion of dimer and trimer, while only fee islands remain with considering such events. Thus, we find that the primitive events of diffusion of dimer and trimer take important roles in determination of surface morphology.
社団法人日本機械学会の論文
2007-04-25