We show that two distinct 3 x 3 ground states - one non-magnetic, metallic
and distorted; the other magnetic, semi-metallic (or insulating) and undist
orted - compete in alpha-phase adsorbates on semiconductor (111) surfaces.
In Sn/Ge(lll), local (spin) density approximation( LSDA) and GGA calculatio
ns indicate, in agreement with experiment, that the distorted metallic grou
nd state prevails. The reason for the stability of this state is analysed,
and traced to a sort of bond density wave, specifically a modulation of the
antibonding state filling between the adatom and a Ge-Ge bond directly und
erneath. (C) 2000 Elsevier Science B.V. All rights reserved.