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Density-functional studies of plasmons in small metal clusters
KTH, School of Biotechnology (BIO), Theoretical Chemistry.
KTH, School of Biotechnology (BIO), Theoretical Chemistry.
2009 (English)In: Journal of Chemical Physics, ISSN 0021-9606, E-ISSN 1089-7690, Vol. 130, no 17Article in journal (Refereed) Published
Abstract [en]

We study the formation of plasmon modes of small gold clusters by modeling the excitation spectra. The shape change of the longitudinal mode as a function of cluster size is studied using time-dependent Kohn-Sham theory and Gaussian basis sets. The presence of d electrons in gold atoms affect the plasmon formation process, resulting in a high excitation energy for transverse mode and a complicated spectra profile in general. The transverse mode can still be identified with the help of a frozen-orbital approximation.

Place, publisher, year, edition, pages
2009. Vol. 130, no 17
Keyword [en]
density functional theory, electronic structure, Gaussian distribution, gold, metal clusters, plasmons, optical-absorption, resonance, nanostructures, nanoparticles, collectivity, transition, scattering, spectra, atoms
Identifiers
URN: urn:nbn:se:kth:diva-18443DOI: 10.1063/1.3119310ISI: 000266263100032Scopus ID: 2-s2.0-65549156095OAI: oai:DiVA.org:kth-18443DiVA: diva2:336490
Note
QC 20100525Available from: 2010-08-05 Created: 2010-08-05 Last updated: 2011-01-31Bibliographically approved

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