Effect of disorder on the electronic band structure of CaC$_6$: a first-principles study

Recent ARPES measurements [1] raise serious questions on the Fermi surface of superconducting [2] CaC$_6$. Specifically, the heavily discussed Ca band was not observed, and the charge transfer from Ca is found largely complete, contrary to previous theoretical studies [3-6]. Here we investigate the effects of potential Ca disorder on the electronic band structure, using a newly developed Wannier function-based disorder method. In particular, quasi-localization of the Ca carriers will be examined via the one-particle spectral function.\\[4pt] [1] T. Valla et al, Phys. Rev. Lett. {\bf 102}, 107007 (2009)\\[0pt] [2] T.E. Weller et al, Nat. Phys. {\bf 1}, 39 (2005)\\[0pt] [3] G. Csanyi et al, Nat. Phys. {\bf 1}, 42 (2005)\\[0pt] [4] I.I. Mazin, Phys. Rev. Lett. {\bf 95}, 227001 (2005)\\[0pt] [5] M. Calandra et al, Phys. Rev. Lett. {\bf 95}, 237002 (2005)\\[0pt] [6] L. Boeri et al, Phys. Rev. B {\bf 76}, 064510 (2007)