Valence-band electronic structure of the simple-cubic C 60
Abstract
The valence-band electronic structure of the simple-cubic (sc) C 60 (space group Pa3¯) is studied with a tight-binding model. The significant structures in the density of states (DOS) of the valence band and the band below that are present in the hypothetical unidirectional structure (space group Fm3¯) have been washed out in the Pa3¯ structure. Instead, the DOSs of the two bands in the Pa3¯ structure are basically smooth function with some small structure. Both of the two DOSs are sharpened slightly upon orientational disorder.
- Publication:
-
Solid State Communications
- Pub Date:
- August 1998
- DOI:
- 10.1016/S0038-1098(98)00322-6
- Bibcode:
- 1998SSCom.108...89L