The calculation of the temperature dependence of NQR frequencies in chlorine and α-nitrogen crystals

The temperature dependence of the NQR frequency was investigated in terms of the anharmonic libration of a molecule in a crystal. The statistical average value of the electric field gradient at the nuclear site was evaluated by using the eigenvalues and the eigenfunctions which were obtained by solv...

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Bibliographic Details
Published in:Journal of magnetic resonance (1969) 1975-01, Vol.17 (3), p.314-323
Main Authors: Fujita, Kazuyoshi, Suhara, Masahiko, Sadô, Akira
Format: Article
Language:English
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Summary:The temperature dependence of the NQR frequency was investigated in terms of the anharmonic libration of a molecule in a crystal. The statistical average value of the electric field gradient at the nuclear site was evaluated by using the eigenvalues and the eigenfunctions which were obtained by solving a spheroidal wave equation as an equation of motion of the molecular libration in a potential of V o sin 2 θ. The present theoretical treatments not only improve the conventional theory in harmonic approximation but also lead to a good agreement between the calculated results and the experimental ones in chlorine and α-nitrogen crystals.
ISSN:0022-2364
1557-8968
DOI:10.1016/0022-2364(75)90196-1