M. Schluter, M. Lannoo, M. Needels, G.A. Baraff, D. Tom nek, "Electron-phonon coupling and superconductivity in alkali- intercalated C60 solid," Physical Review Letters, 68:526-9, 1992.
Michael Schluter (AT&T Bell Laboratories, Murray Hill, N.J.): "The electronic structure of fcc (face-centered cubic) alkali intercalated A3C60 (where A = K, Rb or Cs) is studied using the density functional (LDA) approach and a semi-empirical tight binding scheme fit to the results. The picture that emerges is one of tightly bound C60 molecules, weakly held together by narrow, almost dispersionless bands. These bands are part of a manifold, derived from a 1 = 5 set of states. The vibrational states of A3C60 are studied in a variety of models, reaching from simple Keating-type and bond charge-type to frozen phonon LDA- type descriptions. From this, a consistent picture of vibronic states emerges, in accordance with a variety of experiments such as Raman and infrared and ...
