Soft and hard shells in metallic nanocrystals

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Abstract

The inhomogeneous elastic properties of metallic nanocrystals are studied using semiempirical potentials for Au, Pb, Ag, and Cu. The enhanced low-and high-frequency modes are found to be spatially localized in two shells, a soft surface shell and a hard transition shell. Our analysis shows that the linear frequency dependence of the vibrational density of states is attributed to the two-dimensional nature of the surface shell that is independent of the system size, while the high-frequency tail mainly comes from the transition shell.

Original languageEnglish
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume63
Issue number19
DOIs
StatePublished - 1 May 2001
Externally publishedYes

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