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We investigate the hetero-epitaxial growth of thin film deposited on a (001)substrate via molecular dynamics simulations, using six fcc transition metalsas our modeling systems. By studying the radial distribution function in thefilm layers, we demonstrate the importance of the sign of lattice mismatch onthe layer structure. For positive lattice mismatches, the film favorspseudomorphic growth, whereas for negative mismatches, a sharp transitionhappens within the first few monolayers of adatoms and the film layers aretransformed into the close-packed (111) structure. We propose a way to quantifythe compositional percentage of different planar structures in an epilayer, anddemonstrate the strong asymmetric effect between the tensile and compressivecases of deposition. How temperature affects the asymmetry is also discussed.

Strong Asymmetric Effect of Lattice Mismatch on Epilayer Structure in Metal Thin Film Deposition