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Anharmonic non-Gaussian contribution to the Debye-Waller factor for NaCl

Anharmonic non-Gaussian contribution to the Debye-Waller factor for NaCl Measurement and theoretical estimate of the anharmonic non-quadratic contribution to the Debye-Waller factor for NaCl are reported. For the experiment the Mossbauer -ray diffraction technique was used to find the elastic diffracted intensity separated from the thermal diffuse scattering. The theoretical treatment makes use of the asymptotic form of the displacement correlation functions to give simple explicit expressions for the non-quadratic term. The role of the relevant lattice dynamical parameters is discussed. The deviation from the Gaussian form of the Debye-Waller factor is shown to be large enough to be observed, and the possibility of estimating the third-order anharmonic coupling constant from such a measurement is indicated. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Acta Crystallographica Section A: Crystal Physics, Diffraction, Theoretical and General Crystallography International Union of Crystallography

Anharmonic non-Gaussian contribution to the Debye-Waller factor for NaCl

Anharmonic non-Gaussian contribution to the Debye-Waller factor for NaCl


Abstract

Measurement and theoretical estimate of the anharmonic non-quadratic contribution to the Debye-Waller factor for NaCl are reported. For the experiment the Mossbauer -ray diffraction technique was used to find the elastic diffracted intensity separated from the thermal diffuse scattering. The theoretical treatment makes use of the asymptotic form of the displacement correlation functions to give simple explicit expressions for the non-quadratic term. The role of the relevant lattice dynamical parameters is discussed. The deviation from the Gaussian form of the Debye-Waller factor is shown to be large enough to be observed, and the possibility of estimating the third-order anharmonic coupling constant from such a measurement is indicated.

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Publisher
International Union of Crystallography
Copyright
Copyright (c) 1971 International Union of Crystallography
ISSN
0567-7394
DOI
10.1107/S056773947100055X
Publisher site
See Article on Publisher Site

Abstract

Measurement and theoretical estimate of the anharmonic non-quadratic contribution to the Debye-Waller factor for NaCl are reported. For the experiment the Mossbauer -ray diffraction technique was used to find the elastic diffracted intensity separated from the thermal diffuse scattering. The theoretical treatment makes use of the asymptotic form of the displacement correlation functions to give simple explicit expressions for the non-quadratic term. The role of the relevant lattice dynamical parameters is discussed. The deviation from the Gaussian form of the Debye-Waller factor is shown to be large enough to be observed, and the possibility of estimating the third-order anharmonic coupling constant from such a measurement is indicated.

Journal

Acta Crystallographica Section A: Crystal Physics, Diffraction, Theoretical and General CrystallographyInternational Union of Crystallography

Published: May 1, 1971

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