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Anharmonicity in metals from the universal energy equation

A theoretical computation of vibrational anharmonicity is presented which is a generalization of the simple Gruneisen approach. The calculation was based on a model that defines a simple relationship between the binding energy of a solid and the variation of vibration frequencies with volume. The ag...

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Bibliographic Details
Published in:Journal of materials research 1997-02, Vol.12 (2), p.311-313
Main Authors: Girifalco, L. A., Kniaz, K.
Format: Article
Language:English
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Summary:A theoretical computation of vibrational anharmonicity is presented which is a generalization of the simple Gruneisen approach. The calculation was based on a model that defines a simple relationship between the binding energy of a solid and the variation of vibration frequencies with volume. The agreement between calculated and experimental Gruneisen constants is good.
ISSN:0884-2914
2044-5326
DOI:10.1557/JMR.1997.0042