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|Author(s):||Mark D. Stiles;|
|Title:||Generalized Slater-Koster Method for Fitting Band Structures|
|Published:||January 01, 1997|
|Abstract:||A tight-binding procedure is presented for fitting electronic band structures of crystals. It is based on a fully automated method of determining all possible independent matrix elements for arbitrary crystal structures. A fit, using this method, for the band structure of hexagonal close-packed Tc is more than an order of magnitude better than previous fits. A practical procedure for optimizing fits is described.|
|Citation:||Physical Review B (Condensed Matter and Materials Physics)|
|Pages:||pp. 4168 - 4173|
|Research Areas:||Condensed Matter Physics|
|PDF version:||Click here to retrieve PDF version of paper (559KB)|