화학공학소재연구정보센터
Chemical Physics Letters, Vol.646, 148-152, 2016
The magnetic and transport properties of edge passivated silicene nanoribbon by Mn atoms
The effect of chemical doping on the ZSiNRs with Mn as passivating element replacing H atoms at one edge are investigated by first-principles calculations. The structures optimized in the typical ferromagnetic and antiferromagnetic coupling show that the system leads to an AFM state and achieve half-metallic properties. Also, our first principle approach based on the Keldysh non-equilibrium Green's function method gives the spin-dependent transport properties of the device. When the system changes from parallel to antiparallel configuration. The spin-up current increases rapidly while the spin-up current is still depressed. Further, it is found that the system is a quite good spin filtering device with nearly 80% spin filtering efficiency at a wide bias voltage region and therefore suitable for applications. The mechanisms for these phenomena are proposed in detail. (C) 2016 Elsevier B.V. All rights reserved.