Half-metallicity induced by out-of-plane electric field on phosphorene nanoribbons

doi:10.1088/1674-1056/ac560d

中国物理B ›› 2022, Vol. 31 ›› Issue (7): 77304-077304.doi: 10.1088/1674-1056/ac560d

Half-metallicity induced by out-of-plane electric field on phosphorene nanoribbons

Xiao-Fang Ouyang(欧阳小芳)^† and Lu Wang(王路)

School of Physics and Electrical Information, Shangqiu Normal University, Henan 476000, China

收稿日期:2022-01-19 修回日期:2022-02-10 接受日期:2022-02-17 出版日期:2022-06-09 发布日期:2022-06-18
通讯作者: Xiao-Fang Ouyang E-mail:oyxf328@126.com
基金资助:
This work is supported by Key Scientific Research Projects of Colleges and Universities in Henan Province, China (Grant No. 21A140022).

Half-metallicity induced by out-of-plane electric field on phosphorene nanoribbons

Xiao-Fang Ouyang(欧阳小芳)^† and Lu Wang(王路)

School of Physics and Electrical Information, Shangqiu Normal University, Henan 476000, China

Received:2022-01-19 Revised:2022-02-10 Accepted:2022-02-17 Online:2022-06-09 Published:2022-06-18
Contact: Xiao-Fang Ouyang E-mail:oyxf328@126.com
Supported by:
This work is supported by Key Scientific Research Projects of Colleges and Universities in Henan Province, China (Grant No. 21A140022).

摘要/Abstract

摘要： Exploring the half-metallic nanostructures with large band gap and high carrier mobility is a crucial solution for developing high-performance spintronic devices. The electric and magnetic properties of monolayer zigzag black-phosphorene nanoribbons (ZBPNRs) with various widths are analyzed by means of the first-principles calculations. Our results show that the magnetic ground state is dependent on the width of the nanoribbons. The ground state of narrow nanoribbons smaller than 8ZBPNRs prefers ferromagnetic order in the same edge but antiferromagnetic order between two opposite edges. In addition, we also calculate the electronic band dispersion, density of states and charge density difference of 8ZBPNRs under the action of out-of-plane electric field. More interesting, the addition of out-of-plane field can modulate antiferromagnetic semiconductor to the half metal by splitting the antiferromagnetic degeneracy. Our results propose a new approach to realize half-metal in phosphorene, which overcomes the drawbacks of graphene/silicene with negligible band gap as well as the transitional metal sulfide (TMS) with low carrier mobility.

关键词: half-metal, antiferromagnetic, two-dimensional materials, spin polarization

Abstract: Exploring the half-metallic nanostructures with large band gap and high carrier mobility is a crucial solution for developing high-performance spintronic devices. The electric and magnetic properties of monolayer zigzag black-phosphorene nanoribbons (ZBPNRs) with various widths are analyzed by means of the first-principles calculations. Our results show that the magnetic ground state is dependent on the width of the nanoribbons. The ground state of narrow nanoribbons smaller than 8ZBPNRs prefers ferromagnetic order in the same edge but antiferromagnetic order between two opposite edges. In addition, we also calculate the electronic band dispersion, density of states and charge density difference of 8ZBPNRs under the action of out-of-plane electric field. More interesting, the addition of out-of-plane field can modulate antiferromagnetic semiconductor to the half metal by splitting the antiferromagnetic degeneracy. Our results propose a new approach to realize half-metal in phosphorene, which overcomes the drawbacks of graphene/silicene with negligible band gap as well as the transitional metal sulfide (TMS) with low carrier mobility.

Key words: half-metal, antiferromagnetic, two-dimensional materials, spin polarization

中图分类号: (Electronic structure of nanoscale materials and related systems)

73.22.-f

75.75.Lf (Electronic structure of magnetic nanoparticles) 82.45.Mp (Thin layers, films, monolayers, membranes) 31.15.A- (Ab initio calculations)

Xiao-Fang Ouyang(欧阳小芳) and Lu Wang(王路). Half-metallicity induced by out-of-plane electric field on phosphorene nanoribbons[J]. 中国物理B, 2022, 31(7): 77304-077304.

Xiao-Fang Ouyang(欧阳小芳) and Lu Wang(王路). Half-metallicity induced by out-of-plane electric field on phosphorene nanoribbons[J]. Chin. Phys. B, 2022, 31(7): 77304-077304.

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Half-metallicity induced by out-of-plane electric field on phosphorene nanoribbons

Half-metallicity induced by out-of-plane electric field on phosphorene nanoribbons

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