2005/03/28 by I. I. Mazin, Mazin, I. I., S. L. Molodtsov +2
Chemistry · Materials Science · Physics and Astronomy · #Diamond and Carbon-based Materials Research #FOS: Physical sciences #Fullerene Chemistry and Applications #Materials Science (cond-mat.mtrl-sci) #Rare-earth and actinide compounds #Superconductivity (cond-mat.supr-con) #cond-mat.mtrl-sci #cond-mat.supr-con
paper · pdf · doi:10.48550/arxiv.cond-mat/0503650
For consistency, we post without any changes the manuscript as submitted to PRB on 3/17/2005; however, in meanwhile the key Ref.6 has been made available by the authors as cond-mat/0503570 and will be referred to as such in the future versions
arxiv created 2005/03/28 · openalex publication_date 2005/03/28 · arxiv updated 2009/12/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
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.