We present quasiparticle band structures for the clean, reconstructed Ge(001)-(2×1), as well as for the hydrogen-terminated H:Ge(001)-(2×1) and the sulfur-terminated S:Ge(001)-(1×1) surface. The electronic self-energy operator is evaluated within the GW approximation which allows one to overcome the well-known deficiencies of LDA band-structure calculations. We find good agreement of our results with a number of experimentally determined surface-state bands. © 1996 The American Physical Society.

• Received 11 June 1996

DOI:https://doi.org/10.1103/PhysRevB.54.13759