21107 Ge原子堆積過程の分子動力学シミュレーション(材料力学(シミュレーション))

概要

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Heteroepitaxial growth of Ge atoms on a Si substrate is investigated by using the classical molecular-dynamics method with the Tersoff potential. The simulation begins with preliminary equilibration of the substrate at a specified temperature, and 256 Ge atoms with the energy of 0.2eV are deposited one by one on the substrate. As deposition proceeds, the potential energy of the deposited Ge atoms increases. This tendency make a remarkable contrast with that of Si atoms deposited on a Si substrate. A few monolayers of Ge atoms in the initial period grow epitaxially, and the subsequent layers form amorphous-like structures. In the epitaxial growth mode, 2×1 dimer rows are observed to align along the alternately perpendicular <110> directions in the successive atomic layers.
社団法人日本機械学会の論文
2005-03-17