Electrons and Phonons in YbC6

Details Electrons and Phonons in YbC6 Electrons and Phonons in YbC6

2005-03-28

arxiv.org/abs/cond-mat/0503650v1

Physics

Condensed Matter

Superconductivity

For consistency, we post without any changes the manuscript as submitted to PRB on 3/17/2005; however, in meanwhile the key Re

Scientific paper

The electronic structure and selected zone-center phonons in Yb graphite intercalation compound (YbC6) are investigated {theoretically} using density functional calculations and LDA+U approximation for Coulomb correlations in the f shell, and experimentally using angle-resolved photoemission. We find that both in LDA and LDA+U approach the Yb f states are fully occupied providing no evidence for mixed-valent behavior. The obtained theoretical results are in good agreement with photoemission experiments. The 4f states are considerably hybridized both with the Yb 5d and C 2p states resulting in a substantial admixture of Yb f at the Fermi level. Soft Yb phonons, given a noticeable presence of the Yb states at the Fermi level, are probably responsible for the superconductivity recently reported in YbC6.

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