International
Tables for
Crystallography
Volume D
Physical properties of crystals
Edited by A. Authier

International Tables for Crystallography (2013). Vol. D. ch. 1.11, p. 270

Section 1.11.2.1. General symmetry restrictions

V. E. Dmitrienko,a* A. Kirfelb and E. N. Ovchinnikovac

a A. V. Shubnikov Institute of Crystallography, Leninsky pr. 59, Moscow 119333, Russia,bSteinmann Institut der Universität Bonn, Poppelsdorfer Schloss, Bonn, D-53115, Germany, and cFaculty of Physics, M. V. Lomonosov Moscow State University, Leninskie Gory, Moscow 119991, Russia
Correspondence e-mail:  [email protected]

1.11.2.1. General symmetry restrictions

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The most general expression for the tensor of susceptibility is exclusively restricted by the crystal symmetry, i.e. Mathematical symbol must be invariant against all the symmetry operations Mathematical symbol of the given space group Mathematical symbol:Mathematical equationwhere Mathematical symbol is the matrix of the point operation (rotation or mirror reflection), Mathematical symbol, and Mathematical symbol is the associated vector of translation. The index Mathematical symbol indicates a transposed matrix, and summation over repeated indices is implied hereafter. To meet the above demand, it is obviously sufficient for Mathematical symbol to be invariant against all generators of the group Mathematical symbol.

There is a simple direct method for obtaining Mathematical symbol obeying equation (1.11.2.1)link to equation: we can take an arbitrary second-rank tensor Mathematical symbol and average it over all the symmetry operations Mathematical symbol:Mathematical equationwhere Mathematical symbol is the number of elements Mathematical symbol in the group Mathematical symbol. A small problem is that Mathematical symbol is infinite for any space group, but this can be easily overcome if we take Mathematical symbol as periodic and obeying the translation symmetry of the given Bravais lattice. Then the number Mathematical symbol of the remaining symmetry operations becomes finite (an example of this approach is given in Section 1.11.2.3link to section).








































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