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Phys. Rev. B 46, 7961–7964 (1992)

Electronic structure of CaxC60 fullerides

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Y. Chen, D. M. Poirier, M. B. Jost, C. Gu, T. R. Ohno, J. L. Martins, and J. H. Weaver
Department of Materials Science and Chemical Engineering, University of Minnesota, Minneapolis, Minnesota 55455

L. P. F. Chibante and R. E. Smalley
Rice Quantum Institute and Departments of Chemistry and Physics, Rice University, Houston, Texas 77251

Received 30 June 1992; published in the issue dated 15 September 1992

Photoemission and inverse photoemission studies of CaxC60 films show insulating character for x<3±0.3 as states derived primarily from the LUMO orbitals of C60 are occupied. Metallic character is observed at higher Ca content as a second band of states is partially occupied. This band has mixed character since it is derived from the LUMO+1 orbitals of C60 and the Ca s states. These states are responsible for superconductivity in Ca5C60.

© 1992 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.46.7961
DOI:
10.1103/PhysRevB.46.7961
PACS:
33.60.-q, 79.60.-i, 74.70.Ya, 73.90.+f