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 |
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Hauptverfasser: | , , |
Format: | Artikel |
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. |
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ISSN: | 0031-9007 1079-7114 1079-7114 |
DOI: | 10.1103/physrevlett.92.215501 |