Influence of electric and magnetic fields and $σ$-edge bands on the electronic and optical spectra of graphene nanoribbons

Abstract: The unusual electronic and optical properties of armchair and zigzag graphene nanoribbons (GNRs) subject to in-plane transverse electric and perpendicular magnetic fields have been systematically investigated. Our calculations were carried out within the generalized multi-orbital tight-binding model based on a Hamiltonian which takes into account hopping integrals among the (s, $p_x$, $p_y$, $p_z$) atomic orbitals as well as the external electric and magnetic fields. The electronic structure consists of $\pi$ bands arising from the $p_z$ orbital and $\sigma$ bands originating from the (s, $p_x$, $p_y$) orbitals. The energy bands and optical spectra are diversified by both the nature of the edge of the nanoribbon and strength of the external fields. Armchair GNRs display a width-dependent energy gap in addition to low-energy $\sigma$ bands while the zigzag system has the unfilled flat band with $\pi$ edge states at zero energy and partially filled wide-range $\sigma$ bands. An applied in-plane electric field leads to the splitting of energy bands and shifted Fermi level, thereby enriching the inter-band and intra-band optical conductivities. The interplay between an external magnetic field and the edge geometry gives rise to extraordinary quantized Landau levels and special optical spectra.