Abstract

The vibrations of a metallic nanoparticle are strongly affected by its size and shape. In the present work, the respective roles of size, chemical order, and composition have been theoretically examined in the case of gold–silver nanoalloys by means of atomistic simulations. Whereas the vibrational density of states exhibits some qualitative differences between alloyed and segregated (core–shell) particles, the breathing frequency varies smoothly but nonlinearly with composition in all cases considered. Elasticity theory accounts reasonably well for the size dependencies, with finite size corrections scaling as powers of the inverse radius. These deviations are found to vary with composition through a simple quadratic expansion.

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