Corrugating and anticorrugating static interactions in helium-atom scattering from metal surfaces

The repulsive potential of the corrugating and anticorrugating static interaction of helium with copper was discussed by performing density functional theory (DFT) calculations. The DFT calculations were confronted with those of a He-metal system whose dynamical properties could be accounted for by a corrugated potential, He-Al(111). The partitioning of the atom-metal energy into its kinetic, exchange-correlation terms and the rearrangement of the electronic charge was also discussed. The interaction energy of He-Cu(111) was weakly anticorrugated and was different from that of He-Al(111) which was corrugated.