Tight-binding method in electronic structure
The Slater-Koster (SK) method was originally developed as a technique for interpolating first-principles energy bands from a limited number of k-points to a large one, for the purpose of accurately determining Fermi surfaces and densities of states. Numerous applications of the SK method have been made and extensions to include total energy determinations. One extension of the SK approach is the Naval Research Laboratory Tight-Binding (NRL-TB) method which has been very successful in fitting a set of first-principles electronic structure results and in addition being capable to predict properties that were not fitted and to also perform molecular dynamics simulations. This review presents a summary of applications using the NRL-TB scheme which covers most of the elements in the periodic Table and examples for multi-component systems.
