Direct band gap and anisotropic transport of ZnSb monolayers tuned by hydrogenation and strain

Using first-principles density-functional theory simulations, we explore the effects of hydrogenation and strain on the mechanical, electronic and transport properties of two-dimensional ZnSb monolayers. We find that the fully hydrogenated ZnSb monolayer exhibits large mechanical anisotropy between...

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Veröffentlicht in:	RSC advances 2022-01, Vol.12 (5), p.2693-27
Hauptverfasser:	Guan, Zhizi, Yang, Wei, Wang, Hongfa, Wang, Hailong, Li, Junwen
Format:	Artikel
Sprache:	eng
Schlagworte:	Anisotropy Chemistry Current carriers Density functional theory Energy gap First principles Hydrogenation Monolayers Optoelectronics Tensile strain Transport properties Zinc antimonides
Online-Zugang:	Volltext
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