Algorithm for computing the number of independent real parameters in the phonon dynamical matrix
- 15 June 1975
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 11 (12) , 4795-4800
- https://doi.org/10.1103/physrevb.11.4795
Abstract
The effects of time-reversal symmetry in reducing the maximum number of real parameters in the phonon dynamical matrix at fixed are taken into account to yield the following result: either (I) - is not in the star of in which case , or (II) it is, in which case . Here, denotes the number of times the th irreducible representation of the little group occurs in the reducible representation at wave vector . is of dimension , where is the number of atoms per unit cell. In the expression for , one sums over all in cases (a), (b), and (c), respectively, where (a), (b), and (c) refer to the three cases of Wigner in the Herring criterion. The analysis is also applied to compute a lower upper bound within the rigid-molecule model as discussed group theoretically in the context of inelastic-neutron-scattering experiments by Casella and Trevino.
Keywords
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