Comparative study by DFT method of structural, electronic and optical properties of monolayer, bilayer and bulk CdS
El Houssine Atmani, Ibrahim Bziz, Nejma Fazouan, Mohamed Aazi
Topics & Concepts
Wurtzite crystal structureDensity functional theoryMonolayerBand gapBilayerBilayer grapheneMaterials scienceElectronic structureLattice constantWIEN2kDirect and indirect band gapsCondensed matter physicsChemistryLocal-density approximationNanotechnologyGrapheneOptoelectronicsCrystallographyComputational chemistryOpticsPhysicsBiochemistryHexagonal crystal systemDiffractionMembraneChalcogenide Semiconductor Thin Films2D Materials and ApplicationsHeusler alloys: electronic and magnetic properties