✦ LIBER ✦

Could alkaline–earth-intercalated fullerites actually be semimetals?

✍ Scribed by E. B. Starikov

Publisher: John Wiley and Sons
Year: 1998
Tongue: English
Weight: 338 KB
Volume: 69
Category: Article
ISSN: 0020-7608
DOI: 10.1002/(sici)1097-461x(1998)69:2<201::aid-qua8>3.0.co;2-z

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✦ Synopsis

Ab initio Hartree᎐Fock crystal-orbital calculations on three ideal fullerite Ž . C crystals doped with strontium C Sr , where N s 2, 3, 6 are reported. C Sr is 60 60 N 60 3 calculated here to be a semiconductor; C Sr , a zero-gap semiconductor, and C Sr , a 60 2 60 6 one-dimensional metal. The C Sr are found to be highly ionic as well: The total charge 60 N transfers are 3.444, 4.956, and 9.228 e for N s 2, 3, and 6, respectively. The possible mechanisms of the observed superconductivity in C Sr are discussed.