A tight-binding molecular dynamic simulation of the Cu(110) surface covered with oxygen

Empirical tight-binding molecular dynamic simulations of the O/Cu(110) syst em were performed. It was shown that the atomic and electronic structure ca n be calculated reasonably with this kind of tight-binding model and the re pulsive potentials used in this paper. The calculated structures are in goo d agreement with the results obtained from various experiments. Interpretat ions of the relaxed structure and dynamic studies on the reconstruction pro cess are also included. (C) 1999 Published by Elsevier Science B.V. All rig hts reserved.