Photoelectric transport signals induced by the periodical B/P substitution of doped graphene half-metals

Using the nonequilibrium Green’s function combined with the density functional theory, we investigate the spin-resolved photoelectric current in ferromagnetic hydrogenated zigzag graphene nanoribbons with boron or phosphorus atom substitutions (B/P-ZGNRs). Our findings indicate that B/P substitution induces half-metallic or semiconducting characteristics, depending on the edge form and substituted atoms. Induced by linear polarized light, the spin-resolved photocurrent could reveal information of the band structure and the contribution of different orbitals to the transport processes. Photocurrent peaks at specific photon energies clearly indicate the band edge of B/P-ZGNRs, while its signs reflect the distribution of the transmission coefficient spectrum. In symmetrically hydrogenated B/P-ZGNRs, the p_x orbital is found to be dominant. However, in asymmetric B/P-ZGNRs, the p_y orbital can also be dominant. Furthermore, B/P substitution induces a narrow band near the Fermi level, leading to remarkable negative differential resistance. These findings suggest potential applications of B/P-ZGNRs in spintronic devices and micro photoelectric detection.