Half-metallic and magnetic semiconducting behaviors of metal-doped blue phosphorus nanoribbons from first-principles calculations

Author:

Zhu Si-Cong12345,Yip Cho-Tung56748,Peng Shun-Jin1234,Wu Kai-Ming1234,Yao Kai-Lun910114,Mak Chee-Leung5674,Lam Chi-Hang5674ORCID

Affiliation:

1. College of Science and Key Laboratory for Ferrous Metallurgy and Resources Utilization of Ministry of Education

2. Wuhan University of Science and Technology

3. Wuhan 430065

4. China

5. Department of Applied Physics

6. Hong Kong Polytechnic University

7. Hung Hom

8. Department of Physics

9. Wuhan National High Magnetic Field Center and School of Physics

10. Huazhong University of Science and Technology

11. Wuhan 430074

Abstract

We investigate the electronic and magnetic properties of substitutional metal atom impurities in two-dimensional (2D) blue phosphorene nanoribbons using first-principles calculations.

Funder

National Natural Science Foundation of China

Society of Hong Kong Scholars

Hong Kong Polytechnic University

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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