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Generalized Slater-Koster Method for Fitting Band Structures

Published

Author(s)

Mark D. Stiles

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

Citation

Stiles, M. (1997), Generalized Slater-Koster Method for Fitting Band Structures, Physical Review B (Condensed Matter and Materials Physics), [online], https://tsapps.nist.gov/publication/get_pdf.cfm?pub_id=620475 (Accessed July 14, 2024)

Issues

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Created January 1, 1997, Updated February 19, 2017