Extension of the Slater-Koster tables for tight-binding calculations toelectrons
- 15 March 1974
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 9 (6) , 2433-2440
- https://doi.org/10.1103/physrevb.9.2433
Abstract
In order to make tight-binding calculations possible for substances with electrons, the overlap (or energy) integrals for (), (), and () interactions have been calculated. Using the two-center approximation and considering first- and second-nearest-neighbor contributions the results have been applied to the fcc lattice.
Keywords
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