Calculation of the lattice structure on stepped surfaces of Ar and NaCl

Calculations of surface distortions for high-Miller-index stepped surfaces are presented for Ar and NaCl. Negligibly small surface relaxation is found for the Ar surfaces. In the case of NaCl, surface buckling and surface atom displacements on the order of (5-10)% of the atomic step height are obtained. Polarization effects account for the much larger surface distortions in NaCl.