The effect of edges hydrogenation and adsorption of Co and Mn atoms on spin transport properties of borophene Nanoribbons

Abstract

The stability and magnetic features of bare (ZBNRs) and hydrogenated zigzag borophene nanoribbons (H-ZBNRs) are studied. The calculations are performed using density functional theory and non-equilibrium Green’s function. The results indicate that by hydrogenating borophene, the stability of nanoribbon increases. The magnetic properties of ZBNRs are affected by the hanging bond ofnanoribbon. ZBNR is a magnetic metal while by t hydrogenation, the magnetic effect is eliminated. The quantum transport properties for borophene nanoribbon at zero and low bias voltages are investigated. By increasing voltage the current increases and at the bias voltage of 0.5 V a current of about 35 µ A is observed. Moreover, the effect of Mn and Co adsorption on the surface of H-ZBNRs is investigated. The results indicate that the non-magnetic structure of H-ZBNRs becomes magnetic by adsorbing Co and Mn atoms. Also, the charge transfer is from Co and Mn atoms to borophene Nanoribbon. Our calculations indicate that the amount of current and the magnetic properties of ZBNRs could be modified by passivated of edge Nanoribbon and the TM atoms, which has a promising application in molecular magnet and Nano-electronic devices.