Theoretical investigation of the structural, electronic, elastic and optical properties of the new layered ternary chalcogenide tetragonal compounds Cu2MX4 (M = W and Mo; X=S and Se)
O. Nbeg, M. Bouchenafa, A. Benmakhlouf, Mohamed Abdelilah Fadla, Y. Bourourou, S. Maabed, Mohamed Halit, Boubakeur Saïdat
Topics & Concepts
ChalcogenideTernary operationTetragonal crystal systemRefractive indexBand gapElectronic structureMaterials scienceLattice constantDirect and indirect band gapsAttenuation coefficientAb initioAb initio quantum chemistry methodsChemistrySemiconductorAbsorption (acoustics)Condensed matter physicsComputational chemistryOpticsCrystallographyOptoelectronicsCrystal structureComposite materialPhysicsMoleculeProgramming languageComputer scienceDiffractionOrganic chemistryChalcogenide Semiconductor Thin FilmsHeusler alloys: electronic and magnetic properties2D Materials and Applications