Insights into enhanced ferromagnetic activity of P doping graphene-ZnO monolayer with point defects

The ferromagnetic properties and origin of P doping graphene-ZnO (g-ZnO) monolayer without or with defects including O vacancy (VO) and Zn vacancy (VZn) are discussed in detail using the first principles method in this paper. In order to describe the electronic structure correctly, the GGA + U (PBE...

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Veröffentlicht in:	Materials chemistry and physics 2021-09, Vol.270, p.124855, Article 124855
Hauptverfasser:	Wen, Junqing, Lin, Pei, Han, Yushun, Li, Ning, Chen, Guoxiang, Bai, Lihua, Guo, Shaoli, Wu, Hua, He, Wanlin, Zhang, Jianmin
Format:	Artikel
Sprache:	eng
Schlagworte:	Atomic properties Curie temperature Doping Electron spin Electronic structure Ferromagnetism First principles First principles method Graphene Magnetic properties Magnetic semiconductors Magnetism Monolayers P doping ZnO Point defects Room temperature Vacancies Zinc oxide
Online-Zugang:	Volltext
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