LAUSR

The relationship between electron momentum densities (EMDs) and a band gap is clarified in momentum space. The interference between wavefunctions via reciprocal lattice vectors, making a band gap in momentum space, causes the scattering of electrons from the first Brillouin zone to the other zones, so-called Umklapp scattering. This leads to the broadening of EMDs. A sharp drop of the EMD in the limit of a zero gap becomes broadened as the gap opens. The broadening is given by a simple quantity, Eg/vF, where Eg is the gap magnitude and vF the Fermi velocity. As the ideal case to see such an effect, we investigate the EMDs in graphene and graphite. They are basically semimetals, and their EMDs have a hexagonal shape enclosed in the first Brillouin zone. Since the gap is zero at Dirac points, a sharp drop exists at the corners (K/K’ points) while the broadening becomes significant away from K/K’s, showing the smoothest fall at the centers of the edges (M’s). In fact, this unique topology mimics a general variation of the EMDs across the metal-insulator transition in condensed matters. Such an anisotropic broadening effect is indeed observed by momentum-density-based experiments e.g. x-ray Compton scattering.