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- W2079785897 abstract "Ab initio Hartree–Fock crystal-orbital calculations on three ideal fullerite C60 crystals doped with strontium (C60SrN, where N=2, 3, 6) are reported. C60Sr3 is calculated here to be a semiconductor; C60Sr2, a zero-gap semiconductor, and C60Sr6, a one-dimensional metal. The C60SrN are found to be highly ionic as well: The total charge transfers are 3.444, 4.956, and 9.228 e for N=2, 3, and 6, respectively. The possible mechanisms of the observed superconductivity in C60Sr6 are discussed. © 1998 John Wiley & Sons, Inc. Int J Quant Chem 69: 201–208, 1998" @default.
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- W2079785897 date "1998-01-01" @default.
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- W2079785897 title "Could alkaline-earth-intercalated fullerites actually be semimetals?" @default.
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- W2079785897 doi "https://doi.org/10.1002/(sici)1097-461x(1998)69:2<201::aid-qua8>3.0.co;2-z" @default.
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