Electron-phonon interaction in graphite intercalation compounds

Lilia Boeri, Giovanni B. Bachelet, Matteo Giantomassi, and Ole K. Andersen
Phys. Rev. B 76, 064510 – Published 10 August 2007

Abstract

Motivated by the recent discovery of superconductivity in Ca- and Yb-intercalated graphite (CaC6 and YbC6) and from the ongoing debate on the nature and role of the interlayer state in this class of compounds, in this work we critically study the electron-phonon properties of a simple model based on primitive graphite. We show that this model captures an essential feature of the electron-phonon properties of the graphite intercalation compounds, namely, the existence of a strong dormant electron-phonon interaction between interlayer and π* electrons, for which we provide a simple geometrical explanation in terms of Wannier-like functions. Our findings correct the oversimplified view that nearly free-electron states cannot interact with the surrounding lattice and explain the empirical correlation between the filling of the interlayer band and the occurrence of superconductivity in graphite intercalation compounds.

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  • Received 15 January 2007

DOI:https://doi.org/10.1103/PhysRevB.76.064510

©2007 American Physical Society

Authors & Affiliations

Lilia Boeri1, Giovanni B. Bachelet2, Matteo Giantomassi3, and Ole K. Andersen1

  • 1Max-Planck Institut für Festkörperforschung, Heisenbergstrasse 1, D-70569 Stuttgart, Germany
  • 2INFM Center for Statistical Mechanics and Complexity and Dipartimento di Fisica, Università di Roma “La Sapienza,” Piazzale A. Moro 2, 00185 Roma, Italy
  • 3Unité de Physico-Chimie et de Physique des Matériaux, Université Catholique de Louvain, Place Croix du Sud 1, B-1348 Louvain-la-Neuve, Belgium

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Issue

Vol. 76, Iss. 6 — 1 August 2007

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