Phonon linewidths in Nb1-cMocalloys

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Abstract
The lattice dynamics of Nb1-cMoc alloys are described by a disordered double shell model and a single-site CPA is applied to calculate the phonon widths. It turns out that only disorder in the double shell-inner shell coupling leads to a significant broadening of the phonons. Although for most phonon modes the linewidths turn out to be very small in agreement with experiment, fairly large widths are predicted in a region where phonon anomalies have been found. As a by-product it was found that the usual Born-von Karman method and the double shell model of Weber lead to somewhat different phonon spectra.

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