Special Points in the Brillouin Zone

D. J. Chadi and Marvin L. Cohen
Phys. Rev. B 8, 5747 – Published 15 December 1973
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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.

  • Received 21 May 1973

DOI:https://doi.org/10.1103/PhysRevB.8.5747

©1973 American Physical Society

Authors & Affiliations

D. J. Chadi* and Marvin L. Cohen*

  • Laboratoire de Physique des Solides, Associé au Centre National de la Recherche Scientifique, Université de Paris VI, 4, Place Jussieu, 75230 Paris-Cedex 05 France

  • *Permanent address: Department of Physics, University of California, Berkeley, Calif. 94720. Supported in part by National Science Foundation Grant No. GH35688.

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Issue

Vol. 8, Iss. 12 — 15 December 1973

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