Phonon line shape in disordered A3C60 (A=K, Rb).

Han J.E., Gunnarsson O., Eyert V.

Max-Planck-Institut für Festkörperforschung, Stuttgart, D-70506, Germany;
Institut für Physik, Universität Augsburg, D-86135 Augsburg, Germany

We present a calculation of the Hg phonon self-energy for a model of A3C60 (A=K, Rb). The orientational disorder of the C60 molecules is included, and the lowest order self-energy diagram is considered. The calculations illustrate that due to the violation of momentum conservation by the orientational disorder, Raman scattering can measure the decay of a phonon in an electron-hole pair, allowing the estimate of the electron-phonon coupling from such experiments. Comparison with experimental line shapes further provides support for a local correlation of the molecular orientations, with neighboring molecules preferentially having orientations differing by a 90 degrees rotation.

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Physical Review B, 60 6495-501, 1999.

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