computer simulations;
copper;
cobalt;
semi-empirical methods and model calculations;
surface alloys;
surface structure;
D O I:
10.1142/S0218625X0400661X
中图分类号:
O64 [物理化学(理论化学)、化学物理学];
学科分类号:
070304 ;
081704 ;
摘要:
The BFS method for alloys is applied to the study of Co growth on Cu(111). Atomistic simulations are performed to investigate the behavior of Co on Cu(111) as a function of temperature. Atom-by-atom analysis of the energy contributions of each atom in the island explain the observed features.