Structure of the α phase of Ge(1 1 1) √3 × √3-Pb

Abstract The structure of the α phase of the Ge(1 1 1) √3 × √3-Pb system is determined by energy minimisation with respect to the structural parameters using a charge self-consistent empirical tight-binding method. We find that the lead atoms lie above the second layer Ge atoms, in agreement with X-ray diffraction studies. The top layer of Ge is strongly contracted towards the bulk.