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Microscopic model of NaNO2 in the paraelectric phase

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Zeitschrift für Physik B Condensed Matter

Abstract

Starting from a sterical hindrance potential for the motion of the NO2-molecular group in the deformable cage of neighbouring Na-ions, we derive a microscopic model for the NaNO2 crystal in the paraelectric phase. The dynamical variables are the translational displacements of both the NO2-groups and the Na-ions, and the reorientations of the NO2-groups. Reorientations are described by means of symmetry adapted functions. From a numerical study of the model, we conclude that reorientations of the NO2-groups take place essentially through rotations about the crystallographicc-axis. The model explains why optical experiments have led to the incorrect conclusion of reorientations about thea-axis. By studying the symmetry properties of the bilinear coupling of translations and rotations, we separate optical and acoustical displacements. Only the former couple to the order parameter in the long wavelength limit. Therefore there is no acoustical soft mode at the ferroelectric phase transitions. The bilinear coupling leads to an effective lattice mediated interaction among reorienting NO2-groups.

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Authors and Affiliations

  1. Institut für Festkörperforschung, KFA Jülich, Postfach 1913, D-5170, Jülich, Germany

    K. D. Ehrhardt

  2. Natuurkunde, University of Antwerp (UIA), Universiteitsplein 1, B-2610, Wilrijk, Belgium

    K. H. Michel

Authors
  1. K. D. Ehrhardt
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  2. K. H. Michel
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Ehrhardt, K.D., Michel, K.H. Microscopic model of NaNO2 in the paraelectric phase. Z. Physik B - Condensed Matter 41, 329–339 (1981). https://doi.org/10.1007/BF01307322

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  • DOI: https://doi.org/10.1007/BF01307322

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