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Symmetry 2016, 8(3), 10; doi:10.3390/sym8030010

Polarity Formation in Molecular Crystals as a Symmetry Breaking Effect

Department of Chemistry, University of Bern, Freiestrasse 3, 3012 Bern, Switzerland
Author to whom correspondence should be addressed.
Academic Editor: Purushottam D. Gujrati
Received: 30 November 2015 / Revised: 19 February 2016 / Accepted: 3 March 2016 / Published: 11 March 2016
(This article belongs to the Special Issue Symmetry and Symmetry Breaking in Statistical Systems)
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The transition of molecular crystals into a polar state is modeled by a one-dimensional Ising Hamiltonian in multipole expansion and a suitable order parameter. Two symmetry breakings are necessary for the transition: the translational and the spin flip invariance—the former being broken by geometric constraints, the latter by the interaction of the first non-zero multipole with the next order multipole. Two different behaviors of the thermal average of the order parameter as a function of position are found. The free energy per lattice site converges to a finite value in the thermodynamic limit showing the consistency of the model in a macroscopic representation. View Full-Text
Keywords: Ising model; multipole expansion; symmetry breaking; polarity Ising model; multipole expansion; symmetry breaking; polarity
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (CC BY 4.0).

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Cannavacciuolo, L.; Hulliger, J. Polarity Formation in Molecular Crystals as a Symmetry Breaking Effect. Symmetry 2016, 8, 10.

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