Valley filters using graphene blister defects from first principles

Valleytronics, which makes use of the two valleys in graphenes, attracts considerable attention and a valley filter is expected to be the central component in valleytronics. We propose the application of the graphene valley filter using blister defects to the investigation of the valley-dependent transport properties of the Stone-Wales and blister defects of graphenes by density functional theory calculations. It is found that the intervalley transition from the K valley to the K ' valleys is completely suppressed in some defects. Using a large bipartite honeycomb cell (BHC) including several carbon atoms in a cell and replacing atomic orbitals with molecular orbitals in the tight-binding model, we demonstrate analytically and numerically that the symmetry between the A and B sites of the BHC contributes to the suppression of the intervalley transition. In addition, the universal rule for the atomic structures of the blisters suppressing the intervalley transition is derived. Furthermore, by introducing additional carbon atoms to graphenes to form blister defects, we can split the energies of the states at which resonant scattering occurs on the K and K ' channel electrons. Because of this split, the fully valley-polarized current will be achieved by the local application of a gate voltage.