Analysis of energy and force of Pt adatom on Pt (0Â 0Â 1) surface by MAEAM

The energy and perpendicular force of a Pt adatom on Pt (0 0 1) surface have been calculated by MAEAM. With increasing the distance of the adatom from the surface, the energy and force maps can be classified into four regions: repulsive region, transformed region, strongly attractive region and weakly attractive region. In repulsive region, the maximum (minimum) values of the energy and repulsive force appear on the top (hole) of the first layer atoms of Pt (0 0 1) surface due to stronger pair-potential interaction. In other regions, the energy and force maps are more complicated than those in repulsive region due to the effects of the many body interactions and nonspherical distribution of the electrons of the atoms in crystal. The most stable position is 0.1664 nm above the hole of the first layer atoms for a Pt adatom on Pt (0 0 1) surface.