The metallofullerene Tm@C[sub 82] : isomer-selective electronic structure

Pichler, T.; Knupfer, M.; Golden, M.S.; Böske, T.; Fink, J.; Kirbach, U.; Kuran, P.; Dunsch, L.; Jung, C.
March 1998
Applied Physics A: Materials Science & Processing;1998, Vol. 66 Issue 3, p281
Academic Journal
Abstract. We present studies of the electronic structure and the optical properties of the endohedral monometallofullerene Tm@C[sub 82] using photoemission and electron energyloss spectroscopy in transmission. In particular, the impact of the isomer symmetry of the C[sub 82] cage (C[sub s] or C[sub 3v]) on the electronic structure and on the optical properties is analysed in detail. For both isomers, combined XPS and XAS measurements of the Tm 4f and 4d states offer conclusive proof of a divalent encaged Tm ion. No significant change of the valence of the rare earth ion upon changes in the cage symmetry is observed. From the C Is excitation spectra we find a more pronounced LUMO for the C[sub 3v](8) isomer, as is expected for the higher symmetry of the cage. Additional information about the optical properties was obtained from the low-energy loss function. With use of a Kramers-Kronig analysis, the dielectric function, e, and the optical conductivity, sigma, have been derived. epsilon(0) and the onset of the spectral weight are found to be 7.7 [12.8] and 0.6eV [0.8eV] for the C[sub s](6) {C[sub 3v](8)} isomer, respectively.


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