ArticleNanoscale advances2023
Numerical characterization of the electronic and optical properties of plumbene/hBN heterobilayer using first-principles study.
Article in Nanoscale advances, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
We present a novel plumbene/hexagonal boron nitride (hBN) heterobilayer with intriguing structural, electronic, and optical properties. Three different stacking patterns of the bilayer are proposed and studied under the framework of density functional theory using first-principles calculations. All the stacking configurations display direct band gaps ranging from 0.399 eV to 0.432 eV in the presence of spin orbit coupling (SOC), whereas pristine plumbene possesses an indirect band gap considering SOC. Based on binding energy calculations, the structures are found to be stable and, consequently, feasible for physical implementation. All three structures exhibit low effective mass, ∼0.20
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