Abstract
We study the structure and properties of perfect and defect zigzag silicene nanoribbons (SiNRs) with cobalt (Co) atom adsorbed on different sites of SiNRs using density-functional theory (DFT) calculations. A variety of electronic and magnetic behaviors have been demonstrated, which are found to be strongly dependent on both vacancy configurations and Co atom sites in the system. Detailed analysis reveals that vacancy configurations dramatically influence the structure and electronic band dispersions, and Co atom plays a key role in magnetic properties of the system by raising the magnetic moment of its neighbor Si atoms and suppressing the magnetism of its nearer ribbon-edge. Our results suggest potential applications of doped SiNRs in silicon-based nanodevices. (C) 2013 AIP Publishing LLC.