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Publication Citation: Generalized Slater-Koster Method for Fitting Band Structures

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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)
Volume: 55
Issue: 7
Pages: pp. 4168 - 4173
Research Areas: Condensed Matter Physics
PDF version: PDF Document Click here to retrieve PDF version of paper (559KB)