Self-energy of phonons in an anharmonic crystal of order λ4. II. An application to a monatomic linear chain

Monga, M. R. ; Pathak, K. N. (1978) Self-energy of phonons in an anharmonic crystal of order λ4. II. An application to a monatomic linear chain Physical Review B: Condensed Matter and Materials Physics, 18 (10). pp. 5859-5868. ISSN 1098-0121

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Official URL: http://prb.aps.org/abstract/PRB/v18/i10/p5859_1

Related URL: http://dx.doi.org/10.1103/PhysRevB.18.5859

Abstract

The anharmonic contributions of O(λ4) to the phonon frequency shift and width at high temperatures have been evaluated for a monatomic-linear-chain model. It has been possible to evaluate most of the contributions analytically in an exact and closed form. The remaining contributions have been computed numerically. It is found that the inband phonon width of O(λ4) depends on the wave number contrary to the O(λ2) contribution. The numerical results are used to obtain the magnitudes of all contributions to the inband phonon shift and width at k=π for Lennard-Jones systems. A lower-order approximation is found to be inadequate at temperatures about one third of the melting temperature. Our results also show that all anharmonic contributions of O(λ4) are of the same order of magnitude and strongly cancel each other.

Item Type:Article
Source:Copyright of this article belongs to The American Physical Society.
ID Code:55974
Deposited On:22 Aug 2011 12:57
Last Modified:22 Aug 2011 12:57

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