Adsorbate-substrate and adsorbate-adsorbate interactions of Na and K adlayers on Al(111)

We present total-energy, force, and electronic-structure calculations for Na and K adsorbed in various geometries on an Al(111) surface. The calculations apply density-functional theory together with the local-density approximation and the ab initio pseudopotential formalism. Two adsorbate meshes, n... View More