Relativistic peculiarities at stepped surfaces: Energetics and diffusion patterns obtained fromab initiocalculations

摘要: We revive intriguing, yet still unexplained, experimental results of Ehrlich and co-workers [ Phys. Rev. Lett. 77 1334 (1996); 67 2509 (1991)] who have observed, that 5d adatoms distributed on (111) surface islands metals favor the adsorption at cluster's edge rather than interior, which lies in contrast with behavior 4d 3d elements. Our state art ab initio calculations demonstrate such is a direct consequence relativity metals.