The bulk-phonon lineshifts of aluminium have been evaluated along the high-symmetry directions at room temperature. Comparison with available experimental data is satisfactory. The constant-volume anharmonic contributions to the energy shift tend to cancel each other whereas the volume-dependent term determines the softening of the phonon spectrum. The interatomic potential has been modelled according to a force-constant scheme which parametrizes the most important harmonic and anharmonic interactions.
Anharmonic shifts of phonon energies in aluminium
ZOLI, Marco
1990-01-01
Abstract
The bulk-phonon lineshifts of aluminium have been evaluated along the high-symmetry directions at room temperature. Comparison with available experimental data is satisfactory. The constant-volume anharmonic contributions to the energy shift tend to cancel each other whereas the volume-dependent term determines the softening of the phonon spectrum. The interatomic potential has been modelled according to a force-constant scheme which parametrizes the most important harmonic and anharmonic interactions.File in questo prodotto:
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