Band structure calculations performed within a tight-hinding-type one-electron-per-site model at the UHF level reveal the existence of a spin-density-wave on (C60)x at interfullerene distances larger than ≈1.5 Å. At smaller ball separation, a special charge-density-wave ground state occurs, which exhibits polarized C60 spheres. At around experimental bond distances, both CDW and SDW are present with rather small amplitudes.
|Number of pages||5|
|Journal||Applied Physics A: Materials Science and Processing|
|Publication status||Published - Mar 1997|
ASJC Scopus subject areas
- Materials Science(all)