Abstract
Experimental phonon spectra for the fcc alkaline-earth metals Ca and Sr have only recently been obtained. First-principles, generalized-pseudopotential-theory predictions of these spectra, including the full effects of $d$-state hybridization, are reported and compared with these results. The overall agreement between theory and experiment is found to be quite good (within about 10%). In addition, anomalous behavior observed in the ${\mathrm{T}}_{1}$[110] branch for single-crystal Ca is also found theoretically.
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