Direct band gap and anisotropic transport of ZnSb monolayers tuned by hydrogenation and strain
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DOI: 10.1039/d1ra08619g
Abstract: 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… read more here.
Keywords: strain; transport; hydrogenation strain; znsb monolayers ... See more keywords
Ultrahigh anisotropic carrier mobility in ZnSb monolayers functionalized with halogen atoms
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DOI: 10.1039/d2ra04782a
Abstract: The experimental fabrication of novel two-dimensional ZnSb inspires us to explore the tunability of its fundamental physical properties. In this work, we present the density functional theory simulations on the mechanical, electronic and transport properties… read more here.
Keywords: monolayers functionalized; halogen atoms; mobility; znsb monolayers ... See more keywords