Abstract
PbTe1−xSex alloys are of special interest to thermoelectric applications. Inelastic x-ray scattering determination of phonon dispersion and lifetimes along the high symmetry directions for PbTe1−xSex alloys are presented. By comparing with calculated results based on the virtual crystal model calculations combined with ab initio density functional theory, the validity of virtual crystal model is evaluated. The results indicate that the virtual crystal model is overall a good assumption for phonon frequencies and group velocities despite the softening of transverse acoustic phonon modes along [1 1 1] direction, while the treatment of lifetimes warrants caution. In addition, phonons remain a good description of vibrational modes in PbTe1−xSex alloys.
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