A simple, yet accurate solution of the electron-phonon coupling problem in C-60 is presented. The basic idea behind it is to be found in the parametrization of the ground state electronic density of the system calculated making use of ab initio methods, in term of sp(2+x) hybridized orbitals. This parametrization allows for an economic determination of the deformation potential associated with the fullerene's normal modes. The resulting electron-phonon coupling constants are used to calculate Jahn-Teller effects in C-60(-), and multiple satellite peaks in the corresponding photoemission reaction. Theory provides an accurate account of the experimental findings. (C) 1998 Published by Elsevier Science B.V.

Electron-phonon coupling in charged buckminsterfullerene / N. Breda, R. Broglia, G. Colo, H. Roman, F. Alasia, G. Onida, V. Ponomarev, E. Vigezzi. - In: CHEMICAL PHYSICS LETTERS. - ISSN 0009-2614. - 286:3-4(1998), pp. 350-354.

Electron-phonon coupling in charged buckminsterfullerene

R. Broglia
Secondo
;
G. Colo;G. Onida;
1998

Abstract

A simple, yet accurate solution of the electron-phonon coupling problem in C-60 is presented. The basic idea behind it is to be found in the parametrization of the ground state electronic density of the system calculated making use of ab initio methods, in term of sp(2+x) hybridized orbitals. This parametrization allows for an economic determination of the deformation potential associated with the fullerene's normal modes. The resulting electron-phonon coupling constants are used to calculate Jahn-Teller effects in C-60(-), and multiple satellite peaks in the corresponding photoemission reaction. Theory provides an accurate account of the experimental findings. (C) 1998 Published by Elsevier Science B.V.
Settore FIS/03 - Fisica della Materia
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/2434/192216
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