title: Transferable tight-binding potential for germanium.
abstract: We report a new tight-binding potential model for Ge. In this model, the bonding environment around each bond is taken into account. The features of this model are extensively examined using various structures, such as the diamond bulk with point defects, reconstructed surfaces, nanowires and small and medium-sized clusters. The resulting configurations, energies and the phonon dispersion as well as the electronic structures of the tested systems are in agreement with those predicted at the level of density functional theory. This indicates that the new model is able to handle complex Ge-based materials.
authors: Hefei National Laboratory for Physical Sciences at Microscale and Department of Physics, University of Science and Technology of China, Hefei, Anhui 230026, People's Republic of China.
authors: P F
authors: PF
authors: Li
authors: B C
authors: BC
authors: Pan