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

doi:10.1088/1674-1056/ac560d

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.

Keywords: half-metal antiferromagnetic two-dimensional materials spin polarization

Received: 19 January 2022
Revised: 10 February 2022
Accepted manuscript online: 17 February 2022

PACS:	73.22.-f	(Electronic structure of nanoscale materials and related systems)
	75.75.Lf	(Electronic structure of magnetic nanoparticles)
	82.45.Mp	(Thin layers, films, monolayers, membranes)
	31.15.A-	(Ab initio calculations)

Fund: This work is supported by Key Scientific Research Projects of Colleges and Universities in Henan Province, China (Grant No. 21A140022).

Corresponding Authors: Xiao-Fang Ouyang
E-mail: oyxf328@126.com

Cite this article:

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

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

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