First principles study of BAs/MoSi<sub>2</sub>N<sub>4</sub> van der Waals heterostructure: tunable electronic and optical properties <i>via</i> vertical strain
Yunxi Qi, Can Yao, Jun Zhao, Hui Zeng
Abstract
We use first-principles calculations to explore the modulation of a two-dimensional BAs/MoSi 2 N 4 van der Waals heterostructure via strain, including the structure stabilities, electronic properties, charge transfer and optical properties.
Topics & Concepts
Heterojunctionvan der Waals forceMonolayerDirect and indirect band gapsMaterials scienceBand gapOptoelectronicsAbsorption (acoustics)Electronic band structureElectronic structureCondensed matter physicsNanotechnologyChemistryPhysicsMoleculeComposite materialOrganic chemistry2D Materials and ApplicationsMXene and MAX Phase MaterialsBoron and Carbon Nanomaterials Research