The solid state electronic structure of Ba5C60
✍ Scribed by Michael C. Böhm; Thomas Schedel-Niedrig; Harald Werner; Robert Schlögl; Joachim Schulte
- Publisher
- Elsevier Science
- Year
- 1996
- Tongue
- English
- Weight
- 672 KB
- Volume
- 99
- Category
- Article
- ISSN
- 0038-1098
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The electronic structure of Ca@Cso in the gas phase was probed by ultraviolet photoelectron spectroscopy (UPS) ofCa@CG. The electron affinity of Ca@C, was found to be 3.0 eV. The spectrum suggests that Ca donates its two 4s electrons to the Cm t,. LUMO. Ab initio self-consistent field Hartree-Fock c
The electronic structure of Ba C fullerides was studied theoretically x 60 under special consideration of electronic effects in the C molecule. Band structure 60 Ž . data were derived by an intermediate neglect of differential overlap INDO crystal Ž . orbital CO approach. Different electronic config