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The vibrational properties of alkaline-earth metal fluoride clusters (BaF2)n(n=1-6) are investigated in the framework of density functional theory. Thecalculated Raman and Infrared (IR) spectra reveals shift in Raman and IR peakposition towards lower frequency region with the increase in the cluster size.Further the calculated spectra have been compared with the experimentalvibrational spectra of bulk BaF2 crystal. Even though the smaller size clusterlacks translational symmetry, the structural and vibrational characteristic of(BaF2)5-6 are nearer to bulk counterpart.

Raman and Infrared spectra of (BaF2)n (n=1-6) clusters