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The relation between phonon frequencies and interatomic force constants

The relation between phonon frequencies and interatomic force constants A method involving Fourier series is given by which interatomic force constants can be systematically derived from measured phonon frequencies and eigenvectors. The resolution in wave-vector at which the measurements must be made is related to the range of the force constants. In agreement with recent work by Leigh, Szigeti & Tewary, it is concluded that when the eigenvectors are not known there is no unique solution for the force constants. This is illustrated by a simple numerical example. 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

The relation between phonon frequencies and interatomic force constants

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The relation between phonon frequencies and interatomic force constants

Cochran, W
Acta Crystallographica Section A: Crystal Physics, Diffraction, Theoretical and General Crystallography , Volume 27 (6): 556 – Nov 1, 1971

Abstract

A method involving Fourier series is given by which interatomic force constants can be systematically derived from measured phonon frequencies and eigenvectors. The resolution in wave-vector at which the measurements must be made is related to the range of the force constants. In agreement with recent work by Leigh, Szigeti & Tewary, it is concluded that when the eigenvectors are not known there is no unique solution for the force constants. This is illustrated by a simple numerical example.

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Publisher
International Union of Crystallography
Copyright
Copyright (c) 1971 International Union of Crystallography
ISSN
0567-7394
DOI
10.1107/S0567739471001244
Publisher site
See Article on Publisher Site

Abstract

A method involving Fourier series is given by which interatomic force constants can be systematically derived from measured phonon frequencies and eigenvectors. The resolution in wave-vector at which the measurements must be made is related to the range of the force constants. In agreement with recent work by Leigh, Szigeti & Tewary, it is concluded that when the eigenvectors are not known there is no unique solution for the force constants. This is illustrated by a simple numerical example.

Journal

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

Published: Nov 1, 1971

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