207 Kinetic Monte Carlo法によるヘテロエピタキシャル薄膜成長のモデリング(OS15.電子・原子・マルチシミュレーションに基づく材料特性評価(2),オーガナイズドセッション)

概要

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Innovative thin film technology has enabled the development of finer electronic devices, but a greater understanding of the atomic level process of film growth and its relationship with film characterization is needed to successfully manufacture these devices. Kinetic Monte Carlo (KMC) simulations can treat phenomena with a micro second order time scale in thin film growth. However, most of those had treated homoepitaxial growth. We investigated the effect of heteroepitaxial interlace to the KMC parameters, activation energy and attempt frequency by a simple Lennard-Jones type two-body interaction. The effect depended on the distance from the interface, but they saturated at more than three deposited layers. Thus, the KMC simulation of heteroepitaxial growth can be conducted using only a few sets of KMC parameter tables that are adopted according to the layer. Ni/Cu interface was also investigated using the embedded-atom (EAM) potential. The result of KMC of Cu on a Ni(111) surface was compared with Cu on Cu(111). The activation energies of diffusions around an island on the heteroepitaxial surface decreased more than those on the homoepitaxial surface. Thus, the shape of the island for the heteroepitaxial growth of Cu on Ni(111) was more simplified than the homoepitaxial growth of Cu on Cu(111).
2008-11-01