Edge State-Induced Novel Electronic Structures and Magnetic Properties of Zigzag AlN/SiC Nanoribbons

Using first-principle calculations based on density functional theory, we investigate the electronic structures and magnetic properties of zigzag AlN/SiC nanoribbons. Bare N edge can cause the redistribution of the magnetic moment of the whole nanoribbon, whereas bare Si edge only has a certain effect on the magnetic moment of Si-C chain. The magnetic moment of the nanoribbon with bare Si and N edges is slightly larger than the summation of the magnetic moments of the nanoribbon with bare Si edge and nanoribbon with bare N edge. Bare N edge has a main contribution on the band gap of the corresponding nanoribbons.