We present a comprehensive theoretical study of the electronic structure, elastic properties, surface energies, and work functions of NiGe and PtGe within the framework of density functional theory (DFT). Our calculated lattice constants are within 1-2% of recently reported experimental values. Calculated work functions for the (001) surfaces of NiGe and PtGe are 4.57 and 4.83 eV, respectively, suggesting that both metals and their alloys can be used as self-aligned contacts to p -type germanium. We identify the growth conditions necessary to stabilize this orientation. We report on an unusual surface reconstruction of the NiGe(101)-Ge -terminated surface. © 2007 The American Physical Society.