Theory of Adsorbate-Induced Surface Relaxations: Hydrogen on Cu(110)

Abstract
The effective-medium theory is used to study the chemisorption and incorporation of hydrogen on the Cu(110) surface. The hydrogen-induced relaxations of the Cu lattice and their role in stabilizing hydrogen just under the surface are studied in particular. We find that hydrogen induces local lattice distortions even when chemisorbed. The relaxations are largest when hydrogen is just under the surface, but not large enough to make this site more stable than the chemisorption site.