Anharmonic phonon response in aluminum: A neutron-scattering test of computer-simulation calculations
- 15 December 1979
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 20 (12), 4859-4863
- https://doi.org/10.1103/physrevb.20.4859
Abstract
In contrast to the three finite-frequency peaks in the dynamical structure factor predicted in a recent computer-simulation study of aluminum at 800 K, the line shape observed by means of neutron scattering is smooth and exhibits a single narrow peak at each wave vector. The observed line shape is, however, in agreement with approximate analytical calculations based on self-consistent-phonon theory, using the same interatomic force model as employed in the computer simulation. These comparisons suggest that exact computer simulation on a finite lattice can produce artifical peaks or oscillations not characteristic of the real solid. We find that these artificial peaks are associated with long-time noise in the computer simulation of ; their effect on can be minimized by use of a damping function.
Keywords
This publication has 19 references indexed in Scilit:
- Anharmonic interference effects in potassiumJournal of Physics F: Metal Physics, 1976
- Measurement of Selected Phonons in Rubidium as a Function of Temperature and VolumePhysical Review Letters, 1974
- Anharmonic thermal X-ray scattering from potassium chloride, aluminium and silverJournal of Physics C: Solid State Physics, 1973
- Inelastic-Neutron Scattering from bccPhysical Review A, 1972
- X-ray scattering by phonons in aluminiumJournal of Physics F: Metal Physics, 1972
- Asymmetries in the scattering of X-rays and neutrons by crystalsJournal of Physics C: Solid State Physics, 1969
- Interference Between One- and Multiphonon Processes in the Scattering of Neutrons and X Rays by CrystalsPhysical Review Letters, 1969
- Crystal Dynamics of Potassium. II. The Anharmonic EffectsPhysical Review B, 1969
- Anharmonic crystalsReports on Progress in Physics, 1968
- Dispersion Relations for Phonons in Aluminum at 80 and 300°KPhysical Review B, 1966