Adjustable electronic structure and magnetism of ZnO nanoribbons by applying an electric field

Abstract

Abstract The electronic characteristics and magnetism of nitrogen passivated armchair ZnO nanoribbons (NA8ZnONRs) by applying an electric field were analyzed using the DFT method at the LDA+U level. The outcomes suggest that intrinsic armchair ZnO nanoribbons (A8ZnONRs) are nonmagnetic semiconductors. After nitrogen passivation, NA8ZnONRs display ferromagnetism, whose magnetism (3.21 μB) primarily derives from spin polarization of p orbital electrons of passivated N atoms (2.56 μB) and boundary O atoms (0.69 μB). By applying X-axis electric field, A8ZnONRs still exhibit ferromagnetism, and magnetism primarily derives from the spin-splitting polarization of p orbital electrons of boundary O atoms and passivated N atoms.