Special points for Brillouin-zone integrations

1977/08/15 by D. J. Chadi · 8 citations
Engineering · Physics and Astronomy · #Nonlinear Optical Materials Studies #Photorefractive and Nonlinear Optics #Advanced Chemical Physics Studies

paper · doi:10.1103/physrevb.16.1746

Abstract

The efficiency of two different methods for obtaining "special" points useful for Brillouin-zone integrations of periodic functions is compared. We find that for some Bravais lattices (such as body-centered cubic and hexagonal), the method suggested by Monkhorst and Pack leads to different and sometimes less efficient point sets than those previously obtained by Chadi and Cohen. For a two-dimensional oblique lattice, special points twice as efficient as those suggested by Cunningham are given.

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