Generation of symmetry coordinates for crystals using multiplier representations of the space groups
Author(s) -
F. Y. Hansen
Publication year - 1978
Publication title -
physical review. b, condensed matter
Language(s) - English
Resource type - Journals
eISSN - 1095-3795
pISSN - 0163-1829
DOI - 10.1103/physrevb.18.4015
Subject(s) - symmetry (geometry) , projection (relational algebra) , space (punctuation) , basis (linear algebra) , vector space , simple (philosophy) , operator (biology) , orthogonal coordinates , symmetry group , theoretical physics , physics , pure mathematics , computer science , mathematics , quantum mechanics , geometry , algorithm , philosophy , biochemistry , chemistry , epistemology , repressor , transcription factor , gene , operating system
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 ${D}_{3}^{6}$ 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.
Accelerating Research
Robert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom
Address
John Eccles HouseRobert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom