Special Points in the Brillouin Zone

D. J. Chadi(Centre National de la Recherche Scientifique), Marvin L. Cohen(Sorbonne Université)
Physical review. B, Solid state
December 15, 1973
10.1103/physrevb.8.5747
Cited by 2,034

Abstract

We present sets of special points in the Brillouin zone from which the average over the Brillouin zone of a periodic function of wave vector (e.g., energy, charge density, dipole matrix elements, etc.) can be determined in a simple and accurate way once the values of the function at these points are specified. We discuss a method for generating the special-point sets and apply it to the case of crystals with cubic and hexagonal Bravais lattices.

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