Abstract
The relaxation process for deposited films has been simulated by the molecular dynamics (MD) method. The system calculated was that involving a monatomic layer of fcc(111) on a bcc(110) substrate. For simplicity, the inter-atomic potential was assumed to be a morse function and only the lattice constants were fitted to the experimental values. The systems with lattice constant ratios of 2 √3 , √ 3 2 , 4 3 and √2 were constructed and relaxed by the MD method. The kinetic and potential energies of the system were monitored during the calculation. The relaxed structures strongly depended upon the depths of the interaction potentials. Some systems showed coherent interfaces under the strong effects of the substrate potential. These systems showed some definite epitaxial relationship when the strength of interaction potentials of the deposit-substrate and that of the deposit-deposit were comparable.
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