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An Analytical Model for Screened Coulomb Interaction in a C 60 Cluster
Author(s) -
Cappellini G.,
Bechstedt F.,
Bosin A.,
Casula F.
Publication year - 1995
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2221890117
Subject(s) - polarizability , coulomb , cluster (spacecraft) , plasmon , physics , resonance (particle physics) , dipole , atomic physics , spectroscopy , interaction energy , molecular physics , molecule , electron , quantum mechanics , computer science , programming language
An analytical model for the static screened Coulomb interaction of a semiconductor sphere that accurately reproduces the screening properties of an icosahedral C 60 cluster is presented. Compared with the static screened Coulomb interaction determined after polarizability calculations it yields the same value for nearest‐neighbor interaction energy and the same antiscreening effect for distant sites for points located on the nuclear grid of a free molecule. Also the static dipole molecular polarizability turns out to be in good agreement with that calculated after different theoretical methods. When extended to finite frequencies, without introducing other parameters, the present model reproduces the main resonance around 20 eV of the optical absorption spectrum for the gas phase C 60 and the giant plasmon resonance around 28 eV observed in C 60 fullerites via electron energy loss spectroscopy. These results turn out to be largely insensitive to the details of the model.