4.1 Article

Brillouin-zone database on the Bilbao Crystallographic Server

期刊

ACTA CRYSTALLOGRAPHICA SECTION A
卷 70, 期 -, 页码 126-137

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WILEY-BLACKWELL
DOI: 10.1107/S205327331303091X

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资金

  1. Spanish Ministry of Science and Innovation [MAT2012-34740]
  2. Government of the Basque Country [IT779-13]
  3. TUBITAK

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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.

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