Formation of Atomistic Island in Al Film Growth by Kinetic Monte Carlo

Journal of Computational Science and Technology

Kohei KUNIZAWA⁴  Yoji SHIBUTANI⁴  Akinori FUJINAMI²  Shigenobu OGATA¹  Masahiro YAMAMOTO³ 

[1] Department of Mechanical Science and Bioengineering, Graduate School of Engineering Science, Osaka University;Creative Design Studio on Technology, Graduate School of Osaka University;Production Engineering Laboratory, Panasonic Corporation;Department of Mechanical Engineering, Graduate School of Engineering, Osaka University

关键词: Kinetic Monte Carlo Method;    Thin Film Growth;    Island Formation;    Nudged Elastic Band Method;    Surface Roughness;    Numerical Analysis;    First Principle Analysis;    Aluminum;   

DOI  :  10.1299/jcst.3.148

学科分类：地球科学(综合)

来源: Japan Academy

【 摘 要 】

References(19)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(111) 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 (fcc and hcp) were seen by modeling without considering the events of diffusion of dimer and trimer, while only fcc 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.

【 授权许可】

Unknown