[Back]

K. Hradil, A. Glensk, B. Grabowski, T. Hickel, J. Neugebauer, J. Neuhaus, W. Petri, M. Leitner:
"Phonon Lifetime throughout the Brillouin Zone at Elevated Temperatures from Experiment and Ab Initio";
Physical Review Letters, 123 (2019), 23; 235501-1 - 235501-6.

We obtain phonon lifetimes in aluminium by inelastic neutron scattering experiments, by ab initio
molecular dynamics, and by perturbation theory. At elevated temperatures significant discrepancies are
found between experiment and perturbation theory, which disappear when using molecular dynamics due
to the inclusion of full anharmonicity and the correct treatment of the multiphonon background. We show
that multiple-site interactions are small and that local pairwise anharmonicity dominates phonon-phonon
interactions, which permits an efficient computation of phonon lifetimes.

Inelastic scattering, Neutron scattering

http://dx.doi.org/10.1103/PhysRevLett.123.235501

https://publik.tuwien.ac.at/files/publik_289531.pdf