Tang, X; Li, Chen W; Fultz, B
Anharmonicity-induced phonon broadening in aluminum at high temperatures Journal Article
In: Physical Review B, 82 (18), pp. 184301, 2010.
Abstract | Links | BibTeX | Tags: Al, anharmonicity, high temperature, lifetime, phonon
@article{tang_anharmonicity-induced_2010,
title = {Anharmonicity-induced phonon broadening in aluminum at high temperatures},
author = {X Tang and Chen W Li and B Fultz},
url = {https://link.aps.org/doi/10.1103/PhysRevB.82.184301},
doi = {10.1103/PhysRevB.82.184301},
year = {2010},
date = {2010-11-01},
journal = {Physical Review B},
volume = {82},
number = {18},
pages = {184301},
abstract = {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.},
keywords = {Al, anharmonicity, high temperature, lifetime, phonon},
pubstate = {published},
tppubtype = {article}
}
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.