Application of the Tight-Binding Bond Model
The tight-binding model has received a lot of attention recently as a model for the total energy of metals and semiconductors which can be used for the calculation of minimum energy structures. Chadi (1979a, 1979b, 1984) pioneered the use of k-space methods for atomistic relaxation in semi-conductors with the tight-binding model. The purpose of the present paper is to summarize the present state of the art in real-space, with emphasis on the d-bonded transition metals, the tight-binding description of which was originally introduced and developed by Friedel and coworkers.
KeywordsAtomistic Simulation Minimum Energy Structure Moment Model Atomistic Relaxation Embed Atom Model
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