Surface Relaxations in Cubic Metals

Abstract

The interplanar surface relaxations of seven face-centered and nine body-centered cubic metals are calculated for their three low index surfaces. In f.c.c. lattices the relaxation for the three surfaces is in the order (110) > (100) > (111) whereas in b.c.c. lattices the order is (111) > (100) > (110). In general the relaxation is greater for b.c.c. metals than for f.c.c. Comparing different metals of the same structure, it is found that the relaxation is closely related to a non-dimensional parameter [Formula: see text], where α and r0 are parameters of the Morse potential.