M. I. Heggie et al. / Instability of tetrahedral bonding for the C₁₀₀ molecule

Figure 2.  C₁₀₀ structure after optimisation by local density total energy calculation.  The middle and outer shells coalesce to form a C₈₀ fullerene shell surrounding a C₂₀ dodecahedral core.  The long "bonds" between the core and shell are depicted with broken cylinders.

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• Abstract
• Figure 1.  C₁₀₀ model suggested by Zeger and Kaxiras.
• Figure 3.  Molecular energy per atom as a function of the constrained radius of the middle 20-atom shell.

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