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Phys. Rev. B 60, 6495–6501 (1999)

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

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J. E. Han and O. Gunnarsson
Max-Planck-Institut für Festkörperforschung, D-70506 Stuttgart, Germany

V. Eyert
Max-Planck-Institut für Festkörperforschung, D-70506 Stuttgart, Germany
Institut für Physik, Universität Augsburg, D-86135 Augsburg, Germany

Received 12 February 1999; published in the issue dated 1 September 1999

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° rotation.

© 1999 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.60.6495
DOI:
10.1103/PhysRevB.60.6495
PACS:
71.20.Tx, 75.40.Cx, 71.10.Fd