Theoretical investigations of a new two-dimensional semiconducting boron–carbon–nitrogen structure
Yihua Lu, Xi Zhu, Min Wang
Abstract
A predicted 2D BCN structure has a direct band gap and is a good candidate for electronic and optical applications.
Topics & Concepts
Band gapDirect and indirect band gapsOrthorhombic crystal systemDensity functional theoryCarbon fibersBoronMaterials scienceElectronic structureAbsorption (acoustics)Ab initio quantum chemistry methodsAb initioElectronic band structureAbsorption spectroscopyPhononSemiconductorMolecular physicsChemistryCrystallographyComputational chemistryCondensed matter physicsCrystal structureMoleculeOptoelectronicsOpticsPhysicsComposite numberComposite materialOrganic chemistryBoron and Carbon Nanomaterials ResearchMXene and MAX Phase Materials2D Materials and Applications