Brillouin-zone database on the Bilbao Crystallographic Server

Date

2014-03-01

Author

Aroyo, Mois I.
Orobengoa, Danel
de la Flor, Gemma
Tasci, Emre S.
Perez-Mato, J. Manuel
Wondratschek, Hans

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The Brillouin-zone database of the Bilbao Crystallographic Server (http://www.cryst.ehu.es) offers k-vector tables and figures which form the background of a classification of the irreducible representations of all 230 space groups. The symmetry properties of the wavevectors are described by the so-called reciprocal-space groups and this classification scheme is compared with the classification of Cracknell et al. [Kronecker Product Tables, Vol. 1, General Introduction and Tables of Irreducible Representations of Space Groups (1979). New York: IFI/Plenum]. The compilation provides a solution to the problems of uniqueness and completeness of space-group representations by specifying the independent parameter ranges of general and special k vectors. Guides to the k-vector tables and figures explain the content and arrangement of the data. Recent improvements and modifications of the Brillouin-zone database, including new tables and figures for the trigonal, hexagonal and monoclinic space groups, are discussed in detail and illustrated by several examples.

Subject Keywords

Physical and Theoretical Chemistry, Inorganic Chemistry, General Materials Science, Biochemistry, Structural Biology, Condensed Matter Physics

URI

https://hdl.handle.net/11511/68228

Journal

ACTA CRYSTALLOGRAPHICA SECTION A

DOI

https://doi.org/10.1107/s205327331303091x

Collections

Department of Physics, Article

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Citation Formats

M. I. Aroyo, D. Orobengoa, G. de la Flor, E. S. Tasci, J. M. Perez-Mato, and H. Wondratschek, “Brillouin-zone database on the Bilbao Crystallographic Server,” ACTA CRYSTALLOGRAPHICA SECTION A, pp. 126–137, 2014, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/68228.