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Zeitschrift für Kristallographie - Crystalline Materials

Ed. by Antipov, Evgeny / Bismayer, Ulrich / Boldyreva, Elena V. / Huppertz, Hubert / Petrícek, Václav / Pöttgen, Rainer / Schmahl, Wolfgang / Tiekink, E. R. T. / Zou, Xiaodong

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Vibrational properties of metallic nanoparticles

Ralf Meyer / Peter Entel

Citation Information: Zeitschrift für Kristallographie. Volume 222, Issue 11/2007, Pages 646–649, ISSN (Print) 0044-2968, DOI: 10.1524/zkri.2007.222.11.646, September 2009

Publication History

Published Online:

This brief overview discusses the structure and vibrational dynamics of metallic nanoparticles. The theoretical results are derived from molecular dynamics simulations using empirical tight-binding potentials. The vibrational densities of states of nanoparticles with sizes from 4 to 20 nm are shown. A method to identity surface, subsurface and core atoms is presented and it is shown that the average vibrational density of states of the atoms in these regions is fairly independent of the particle size.

Keywords: Nanoparticles; Vibrational density of states; Molecular dynamics simulations; Empirical tight-binding potentials

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