Temperature dependences of the K39 and Rb85 quadrupole coupling constants in paraelectric KH2PO4, KH2AsO4, RbH2PO4, and RbH2AsO4

J. Seliger and V. Žagar
Phys. Rev. B 49, 14918 – Published 1 June 1994
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Abstract

Temperature dependences of K39 and Rb85 nuclear-quadrupole resonance frequencies have been measured in tetragonal paraelectric phases of KH2PO4, KH2AsO4, RbH2PO4, and RbH2AsO4. The measured quadrupole coupling constants are compared to the quadrupole coupling constants calculated in a point-charge model in which a cation bears a positive charge e whereas the negative charge -e of a PO4 or AsO4 ion is, in a time average, equally shared by the four oxygen atoms. The influence of the anisotropic thermal expansion of the crystal lattices on the temperature dependence of the quadrupole coupling constants is calculated in the same model. Both the calculated and measured quadrupole coupling constants as well as the calculated and measured temperature coefficients of the quadrupole coupling constants agree within the experimental error. Thus the ‘‘antiferroelectric’’ Slater configurations of the H2PO4 and of the H2AsO4 groups which seem to have a strong influence on the As75 NQR frequencies in the tetragonal paraelectric phase are of a local nature and they have nearly no influence on the potassium and rubidium NQR frequencies.

  • Received 19 January 1994

DOI:https://doi.org/10.1103/PhysRevB.49.14918

©1994 American Physical Society

Authors & Affiliations

J. Seliger and V. Žagar

  • Josef Stefan Institute, University of Ljubljana, Jamova 39, 61000 Ljubljana, Slovenia

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Issue

Vol. 49, Iss. 21 — 1 June 1994

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