Abstract
We report the electronic structures of Cho cluster, solid C60, K3 C60, and C60 Br obtained by the density-functional theory. The C60 cluster has a closed shell electronic structure with relatively large energy gap, and solid C60 becomes a semiconductor. K3 C60 is found to be an exotic ionic metal and have high density of states at the Fermi energy, which seems responsible for the observed superconductivity. On the other hand, the high electronegativity of C60 prevents hole injection in the valence band and instead the midgap state consisting of Br 4p state appears in C60Br.
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References
H. W. Kroto, J. R. Heath, S. C. O’Brien, R. F. Curl and R. E. Smalley: Nature 318, 162 (1985).
W. Krätschmer, L. D. Lamb, K. Fostiropoulos, and D. R. Huffman: Nature 347, 354 (1990).
A. F. Hebard et al., Nature 350, 600 (1991).
K. Tanigaki, T. W. Ebbesen, S. Saito, J. Mizuki, J. S. Tsai, Y. Kubo and S. Kuroshima: Nature 352, 222 (1991).
P. Hohenberg and W. Kohn: Phys. Rev. 136, B864 (1964);
W. Kohn and L. J. Sham: Phys. Rev. 140, A1133 (1965).
G. B. Bachelet, D. R. Hamann and M. Schlüter: Phys. Rev. B 26, 4199 (1982).
Y. Miyamoto and A. Oshiyama: Phys. Rev. B 41, 12680 (1990).
S. Saito and A. Oshiyama: Phys. Rev. Lett. 66, 2637 (1991).
R. D. Johnson et al., in Clusters and Cluster-Assembled Materials, ed. R. S. Averback et al. (Mat. Res. Soc. Proc. 206, Pittsburgh, 1991) p.175.
S. Saito: in Clusters and Cluster-Assembled Materials (ref.9) p.115.
R. C. Haddon et al.: Nature 350, 320 (1991).
P. W. Stephens et al.: Nature 351, 632 (1991).
S. Saito and A. Oshiyama: Phys. Rev. B 44, 11 536 (1991).
K. Holczer et al.: Science 252, 1154 (1991);
M. J. Rosseinsky et al.: Phys. Rev. Lett. 66, 2830 (1991).
P. J. Benning et al., Science 252, 1417 (1991);
G. K. Wertheim et al., Science 252, 1419 (1991);
G. K. Wertheim et al., Science 252, 1419 (1991);
N. Hamada, S. Saito, Y. Miyamoto, and A. Oshiyama, Jpn. J. Appl. Phys. 30, L2036 (1991).
Y. Miyamoto, A. Oshiyama, and S. Saito: (to be published).
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© 1992 Springer-Verlag Berlin Heidelberg
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Saito, S., Oshiyama, A., Miyamoto, Y. (1992). Electronic Structures of Fullerenes and Fullerides. In: Miyashita, S., Imada, M., Takayama, H. (eds) Computational Approaches in Condensed-Matter Physics. Springer Proceedings in Physics, vol 70. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-84821-6_4
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DOI: https://doi.org/10.1007/978-3-642-84821-6_4
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