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

Abstract

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.

Keywords:

• First-principles calculations
• zigzag silicene nanoribbons
• electronic and magnetic properties
• B chain doped

Additional information

Funding

This work is supported by the Scientific Research Foundation for Talented Scholars of Hunan Institute of Technology (HQ19011), by the Program of Hunan Provincial Education Department of China (Grant Nos. 20C0571, 17C0430), by College Students? Innovation and Entrepreneurship Training Program of Hunan Province (S202011528032), by the aid program of science and technology innovative research team of Hunan Institute of Technology, the physics discipline of Hunan Institute of Technology.