Electronic structure of calcium-doped C60
β Scribed by Susumu Saito; Atsushi Oshiyama
- Publisher
- Elsevier Science
- Year
- 1992
- Tongue
- English
- Weight
- 282 KB
- Volume
- 83
- Category
- Article
- ISSN
- 0038-1098
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π SIMILAR VOLUMES
The electronic structure of a CeO cluster, the soccer ball-shaped structure determined from the recent X-ray study by Hawkins et al., and of its endohedral complex KCGo were calculated using the self-consistent-field discrete variational (DV) method in the local density theoretical framework. The ca
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
Molecular cluster calculations within the local density approximation have been performed in a study of the electronic structure of C& doped with K, where the K atom has been located inside or outside the cage. The results support our earlier calculations for endohedral KCso as well as those for end