Quantum size effects in the polarizability of carbon fullerenes

We investigate the size-dependent dielectric response of carbon fullerenes with up to 3840 atoms in the framework of the linear response theory. Our results suggest a significant polarizability enhancement due to quantum size effects with respect to classical or semiclassical calculations. The accur...

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Veröffentlicht in:Physical review letters 2004-05, Vol.92 (21), p.215501-215501, Article 215501
Hauptverfasser: Gueorguiev, G K, Pacheco, J M, Tománek, David
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Sprache:eng
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Zusammenfassung:We investigate the size-dependent dielectric response of carbon fullerenes with up to 3840 atoms in the framework of the linear response theory. Our results suggest a significant polarizability enhancement due to quantum size effects with respect to classical or semiclassical calculations. The accuracy of our results, based on a parametrized Hamiltonian, is verified by ab initio time dependent density functional calculations for smaller fullerenes. Our findings underline the importance of quantum effects in the electronic response of nano- and mesoscopic systems.
ISSN:0031-9007
1079-7114
1079-7114
DOI:10.1103/physrevlett.92.215501