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Relation of structure and superconducting transition temperatures in A3C60

โœ Scribed by Fleming, R. M.; Ramirez, A. P.; Rosseinsky, M. J.; Murphy, D. W.; Haddon, R. C.; Zahurak, S. M.; Makhija, A. V.

Book ID
109778035
Publisher
Nature Publishing Group
Year
1991
Tongue
English
Weight
199 KB
Volume
352
Category
Article
ISSN
0028-0836

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Results of electronic structure calculations of C6o and M3C6o (M = K, Rb, Cs) fcc crystals carried out by the full-potentiallinear muffin-tin orbital (LMTO) method are reported. Undoped C6o is found to be semiconductir~g wtt:z a direct gap between the fully occupied valence band and empty conduction