Electronic structure of superconducting Ba6C60
Steven C. Erwin, Mark R. Pederson
DOI 10.1103/PhysRevB.47.14657 · Physical Review B
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Abstract
We report the results of first-principles electronic-structure calculations for superconducting Ba6C60. Unlike the A3C60 superconductors, this new compound shows strong Ba-C hybridization in the valence and conduction regions, mixed covalent-ionic bonding character, partial charge transfer, and insulating band structure, with a very small or zero gap within the local-density approximation.
Source-reported materials — not catalogue approval
| Formula | Reported Tc (K) | Pressure (GPa) | Type |
|---|---|---|---|
| Ba6C60 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 7 | Pressure not reported | unknown |
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