Tuning the electronic and magnetic properties of hydrogen saturated zigzag silicene nanoribbon doped with B atoms chain

We performed the first-principles calculations about the electronic and magnetic properties of hydrogen saturated zigzag silicene nanoribbon (HZSiNR) doped with a B atoms chain. The calculated results of formation energies indicate that the doped configurations possess thermodynamic stability. For HZSiNR doped with B atoms chain, a significant transition from semiconducting character to metallic character can occur, which is strongly originated from contributions of B impurities and its connected Si atoms. Moreover, the magnetic state can change from antiferromagnetic state to ferromagnetic state. Meanwhile, the local magnetic moments of Si atoms connected with B atoms are tremendously induced.