We show that hopping via the alkali atoms plays an important role for the t1u band of A4C60 (A=K, Rb), in strong contrast to A3C60. Thus the t1u band is broadened by more than 40 % by the presence of the alkali atoms. The difference between A4C60 and A3C60 is in particular due to the less symmetric location of the alkali atoms in A4C60.
@article{arxiv.cond-mat/9701132,
title = {Important role of alkali atoms in A4C60},
author = {O. Gunnarsson and S. C. Erwin and E. Koch and R. M. Martin},
journal= {arXiv preprint arXiv:cond-mat/9701132},
year = {2009}
}
Comments
5 pages, revtex, 2 figures, submitted to Phys. Rev. B more information at http://www.mpi-stuttgart.mpg.de/dokumente/andersen/fullerene/