Anharmonicity-induced phonon broadening in aluminum at high temperatures

作者：Tang Xiaoli^*; Li Chen W; Fultz B

来源：Physical Review B, 2010, 82(18): 184301.

DOI：10.1103/PhysRevB.82.184301

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.

• 出版日期2010-11-3