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Anharmonicity-induced phonon broadening in aluminum at high temperatures

Tang, Xiaoli and Li, Chen W. and Fultz, B. (2010) Anharmonicity-induced phonon broadening in aluminum at high temperatures. Physical Review B, 82 (18). Art. No. 184301. ISSN 1098-0121.

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Thermal phonon broadening in aluminum was studied by theoretical and experimental methods. Using second-order perturbation theory, phonon linewidths from the third-order anharmonicity were calculated from first-principles density-functional theory (DFT) with the supercell finite-displacement method. The importance of all three-phonon processes were assessed and individual phonon broadenings are presented. The good agreement between calculations and prior measurements of phonon linewidths at 300 K and new measurements of the phonon density of states to 750 K indicates that the third-order phonon-phonon interactions calculated from DFT can account for the lifetime broadenings of phonons in aluminum to at least 80% of its melting temperature.

Item Type:Article
Related URLs:
URLURL TypeDescription
Li, Chen W.0000-0002-0758-5334
Fultz, B.0000-0002-6364-8782
Additional Information:© 2010 American Physical Society. Received 19 October 2010; published 3 November 2010. This work was supported by DOE BES under Contract No. DE-FG02-03ER46055. The work benefited from software developed in the DANSE project under NSF under © 2010 Award No. DMR-0520547. The research at Oak Ridge National Laboratory’s Spallation Neutron Source was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, DOE.
Funding AgencyGrant Number
Department of Energy (DOE)DE-FG02-03ER46055
Issue or Number:18
Classification Code:PACS:,, 78.70.Nx
Record Number:CaltechAUTHORS:20101206-143055391
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Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:21195
Deposited By: Benjamin Perez
Deposited On:07 Dec 2010 16:59
Last Modified:09 Mar 2020 13:19

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