第 1 部 (1) 半導体材料の界面応力/弾性定数の原子レベル評価

概要

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For nano-scale thin film, effects of surface and interface, which can be ignored on a macro scale, become important. For example, surface (interface) energy and stress are key parameters for predicting the intrinsic stress of thin films. Several researchers have reported that the elastic constants of thin films are different from those of bulks. We have recently proposed new definitions and calculation methods regarding surface/interface stress and elastic constants for thin films by extending Martin's method within the framework of the molecular dynamics method. We applied our method to thin films of crystal and amorphous silicon and the interface between them. The effect of surface and interface structures are also investigated. The well-annealed surface and interface have remarkably different properties compared with the unrelaxed ones. The width of the surface and the interface are also discussed in terms of newly defined atomic-level elastic properties and order parameters. It is found that the width of the surface and the interface are about 0.2nm to 0.8nm.
一般社団法人日本機械学会の論文
2003-03-27