Structure, electronic and optical properties of chalcopyrite-type semiconducting materials XGaY2 (X = Cu, Ag, Au; Y = S, Se, Te) for solar cell applications: A DFT study
Shayeri Das, Prabhat Ranjan, Kumar Gaurav, Praveen K. Surolia, Tanmoy Chakraborty
Topics & Concepts
HOMO/LUMOElectronegativityChalcopyriteRaman spectroscopyBand gapDensity functional theoryMaterials scienceDirect and indirect band gapsSolar cellChemistryPhysical chemistryCrystallographyComputational chemistryOptoelectronicsCopperMoleculeOpticsOrganic chemistryPhysicsMetallurgyChalcogenide Semiconductor Thin FilmsQuantum Dots Synthesis And PropertiesSemiconductor materials and interfaces