Brillouin-zone integration by Fourier quadrature: Special points for superlattice and supercell calculations

15 February 1989

journal article
research article
Published by American Physical Society (APS) in Physical Review B

Vol. 39 (5) , 3168-3172
https://doi.org/10.1103/physrevb.39.3168

Abstract

A simple extension of the Monkhorst-Pack Fourier-quadrature (or special-points) method for Brillouin-zone integration makes it possible to determine equivalent (identical by symmetry) points for two different unit cells simply by identifying lattice points common to both cells. This is useful for superlattice or supercell geometries in order to minimize systematic errors.

Keywords

This publication has 4 references indexed in Scilit:

Special points for superlattices and strained bulk semiconductors
Physical Review B, 1988
Special points for Brillouin-zone integrations
Physical Review B, 1976
Special Points in the Brillouin Zone
Physical Review B, 1973
Mean-Value Point in the Brillouin Zone
Physical Review B, 1973