@ARTICLE{pssb2008_3,
  author = {Zólyomi, V and Koltai, J and Kürti, J and Pekker S},
  title = {The electronic band structure of fullerene-cubane cocrystals},
  journal = {physica status solidi b},
  year = {2008},
  volume = {245},
  pages = {2018-2021},
  number = {10},
  abstract = { We present a first principles study of the electronic band structure
	of fullerene-cubane (C60C8H8) cocrystals, using density functional
	theory at the local density approximation level. The band structure
	is calculated along high symmetry lines and compared to that of the
	fcc fullerene. A contraction of the fullerene bands is found and
	is attributed to the expansion of the lattice caused by the presence
	of cubane. Charge transfer between the components of C60C8H8 is also
	calculated by Bader charge analysis. The possibility of a very small
	charge transfer between the cubane and the fullerene is discussed.
	(c) 2008 WILEY-VCH Verlag GmbH \& Co. KGaA, Weinheim.},
  doi = {10.1002/pssb.200879595},
  issn = {0370-1972},
  keywords = {DFT ; DOS ; Fullerene ; Cubane},
  mount = {Oct},
  url = {http://www3.interscience.wiley.com/journal/121387289/abstract}
}