Is there a contraction of the interatomic distance in small metal particles?

Lars Bruno Hansen, Per Stoltze, Jens Kehlet Nørskov, B. S. Clausen, W. Niemann

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Abstract

A theoretical analysis is made of the bond lengths of small (100–1000 atoms) Cu particles at various temperatures. The interatomic interactions are calculated using the effective-medium theory and the finite-temperature properties obtained from a molecular-dynamics simulation. We find only very small changes in bond length with particle size, but the motion in the small particles is very anharmonic. We use this observation to resolve the current experimental controversy about the existence of bond contraction for small metal particles.
Original languageEnglish
JournalPhysical Review Letters
Volume64
Issue number26
Pages (from-to)3155-3158
ISSN0031-9007
DOIs
Publication statusPublished - 1990

Bibliographical note

Copyright (1990) by the American Physical Society.

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