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arxiv: cond-mat/0403003 · v2 · submitted 2004-02-27 · ❄️ cond-mat.supr-con · cond-mat.mtrl-sci

Electron-Phonon Interactions in C₂₈-derived Molecular Solids

classification ❄️ cond-mat.supr-con cond-mat.mtrl-sci
keywords solidsderivedelectron-phononmolecularsolidstructurealbeitalkali-doped
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We present {\it ab initio} density-functional calculations of molecular solids formed from C$_{28}$-derived closed-shell fullerenes. Solid C$_{28}$H$_4$ is found to bind weakly and exhibits many of the electronic structure features of solid C$_{60}$ with an enhanced electron-phonon interaction potential. We show that chemical doping of this structure is feasible, albeit more restrictive than its C$_{60}$ counterpart, with an estimated superconducting transition temperature exceeding those of the alkali-doped C$_{60}$ solids.

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