Transport properties of Mn-doped/adsorbed zigzag boron nitride nanoribbon based nanodevices

Abstract

We are conducting research into the spin transport characteristics of models that are built from zigzag Boron Nitride Nanoribbons (ZBNNRs) that have been doped and adsorbed with Mn. These investigations are made possible by using the non-equilibrium Green’s function (NEGF) formalism in conjunction with Density Functional Theory (DFT). We have scrutinized the electronic structures of six different models, and have chosen two for a deeper exploration of its’ transport characteristics. Our computational findings highlight an unusual occurrence where a Mn atom substitutes a B atom in ZBNNRs, resulting in ZB(Mn)NNRs that exhibit significant Giant Magnetoresistance (GMR) and Rectification ratio (RR) - peaking at 106 and 105 respectively, along with the presence of negative differential conductance (NDC) effects. The detected GMR, NDC, and rectification characteristics in ZB(Mn)NNRs offer an optimistic outlook for the conceptualization of future nanodevices.