Generation of symmetry coordinates for crystals using multiplier representations of the space groups

Flemming Yssing Hansen
Phys. Rev. B 18, 4015 – Published 15 October 1978
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Abstract

Symmetry coordinates play an important role in the normal-mode calculations of crystals. It is therefore of great importance to have a general method, which may be applied for any crystal at any wave vector, to generate these. The multiplier representations of the space groups as given by Kovalev and the projection-operator technique provide a basis for such a method. The method is illustrated for the nonsymmorphic D36 space group, and the theoretical background for the representations of space groups in general is reviewed and illustrated on the example above. It is desirable to perform the projection of symmetry coordinates in such a way that they may be used for as many wave vectors as possible. We discuss how to achieve this goal. The detailed illustrations should make it simple to apply the theory in any other case.

  • Received 27 April 1977

DOI:https://doi.org/10.1103/PhysRevB.18.4015

©1978 American Physical Society

Authors & Affiliations

Flemming Yssing Hansen

  • Fysisk-Kemisk Institut, The Technical University of Denmark, DK 2800 Lyngby, Denmark

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Issue

Vol. 18, Iss. 8 — 15 October 1978

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