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Electrons and Phonons in YbC6 | | I.I. Mazin
; S.L. Molodtsov
; | | Date: |
28 Mar 2005 | | Subject: | Superconductivity; Materials Science | cond-mat.supr-con cond-mat.mtrl-sci | | Abstract: | 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. | | Source: | arXiv, cond-mat/0503650 | | Services: | Forum | Review | PDF | Favorites | |
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