The Half Metallicity of Zigzag Silicene Nanoribbon with Al/P Co-doping

In this paper, we have investigated the geometry structures and electronic properties of zigzag silicene nanoribbon with Al-P codoping at different sites using the first-principle calculations. The calculated results show that the Al-dopant site at the edge of a zigzag silicene nanoribbon is more favorable energetically than other Al/P co-doping configurations. While the Al-doping site is moving towards the edge of the nanoribbon, the half metallicity can be tuned. When the doping sites between the Al atom and P atom are exchanged, the half metallicity also can be tuned, which may open a possibility in a spintronics device based on ZSiNRs.