Electronic Properties of SiB Nanoribbons in Density Functional Theory

The present study investigates the electronic and magnetic properties of hydrogenated armchair/zigzag SiB nanoribbons with different widths. The calculations are carried out within the framework of the density functional theory using the full potential linearized augmented plane waves and the generalized gradient approximation for the exchange-correlation functional. Based on the results, it has been found that the nanoribbons have a metallic behavior, meaning that the density of states around the Fermi level increases as the width of the nanoribbon increases. Also, spin polarization calculations showed that the ribbons have magnetic ordering properties. Overall, in this work, a method has been introduced to investigate the electronic properties of SiB nanoribbons. The method has the capability to be extended to other nanoribbons.