A transferable nonorthogonal tight-binding model of germanium: application to small clusters

Details A transferable nonorthogonal tight-binding model of germanium: application to small clusters A transferable nonorthogonal tight-binding model of germanium: application to small clusters

2000-04-25

arxiv.org/abs/physics/0004066v1

Physics

Atomic and Molecular Clusters

14 pages, 2 figures

Scientific paper

10.1016/S0375-9601(00)00588-0

We have developed a transferable nonorthogonal tight-binding total energy model for germanium and use it to study small clusters. The cohesive energy, bulk modulus, elastic constants of bulk germanium can be described by this model to considerably good extent. The calculated bulk phase diagram for germanium agrees well with LDA results. The geometries and binding energies found for small Ge$_n$ clusters with $n=3-10$ are very close to previous {\em ab initio} calculations and experiments. All these results suggest that this model can be further applied to the simulation of germanium cluster of larger size or with longer time scale, for which {\em ab initio} methods is much more computational expensive.

Affiliated with

Also associated with

No associations

Rating

A transferable nonorthogonal tight-binding model of germanium: application to small clusters does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with A transferable nonorthogonal tight-binding model of germanium: application to small clusters, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and A transferable nonorthogonal tight-binding model of germanium: application to small clusters will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-43256