Electronic Structure of Superconducting Ba6c60

Details Electronic Structure of Superconducting Ba6c60 Electronic Structure of Superconducting Ba6c60

1993-01-07

arxiv.org/abs/cond-mat/9301006v1

Physics

Condensed Matter

11 pages + 4 figures (1 appended, others on request), LaTeX with REVTEX

Scientific paper

10.1103/PhysRevB.47.14657

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
zero-gap band structure.

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