Jahn-Teller spectral fingerprint in molecular photoemission: c60.
The h(u) hole spectral intensity for C60-->C+60 molecular photoemission is calculated at finite temperature by a parameter-free Lanczos diagonalization of the electron-vibration Hamiltonian, including the full 8 H(g), 6 G(g), and 2 A(g) mode couplings. The computed spectrum at 800 K is in striking agreement with gas-phase data. The energy separation of the first main shoulder from the main photoemission peak, 230 meV in C60, is shown to measure directly and rather generally the strength of the final-state Jahn-Teller coupling.
Manini
Nicola
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Dipartimento di Fisica, Università di Milano, Via Celoria 16, 20133 Milan, Italy. nicola.manini@mi.infm.it
Gattari
Paolo
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Tosatti
Erio
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