Data for Electronic structure of graphene on copper substrates

The electronic properties of this system can be examined directly using angle resolved photo-emission spectroscopy (ARPES). However, a direct computational study of the band structure is complicated by constraints on periodicity imposed by the simulation methods, which require large simulation cells.

In this work, we present effective band structures of graphene on Cu(111) and Cu(100) surfaces obtained by band structure unfolding techniques. This allows a direct comparison with ARPES experiments. While our calculations confirm previous results of considerable n doping (0.30 eV) of graphene on Cu(111), we find significantly smaller modification of the graphene band structure on Cu(100).