The magnetic and transport properties of edge passivated silicene nanoribbon by Mn atoms

TL;DR

This study uses first principles calculations to explore how Mn doping at one edge of silicene nanoribbons influences their magnetic and transport properties, revealing potential for spin filtering applications.

Contribution

It introduces a novel approach to doping silicene nanoribbons with Mn and analyzes their magnetic and transport behaviors using first principles and nonequilibrium Green's function methods.

Findings

Achieves half-metallic properties in Mn-doped silicene nanoribbons.

Demonstrates high spin filtering efficiency (~80%) over a wide bias range.

Shows significant difference in spin-dependent currents between magnetic configurations.

Abstract

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 nonequilibrium Greens 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 down current is still depressed. Further, it is found that the system is a quite good spin filtering device with nearly 80 percent spin filtering efficiency at a wide bias voltage region and therefore suitable for applications. The mechanisms for these phenomena are proposed in detail.