Strain dependence of surface diffusion: Ag on Ag„111... and Pt„111..
نویسندگان
چکیده
Using density-functional theory with the local-density approximation and the generalized gradient approximation we compute the energy barriers for surface diffusion for Ag on Pt~111!, Ag on one monolayer of Ag on Pt~111!, and Ag on Ag~111!. The diffusion barrier for Ag on Ag~111! is found to increase linearly with increasing lattice constant. We also discuss the reconstruction that has been found experimentally when two Ag layers are deposited on Pt~111!. Our calculations explain why this strain driven reconstruction occurs only after two Ag layers have been deposited. @S0163-1829~97!06312-1#
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