A comparative theoretical investigation of optoelectronic and mechanical properties of KYS2 and KLaS2
Adel Allal, Mohamed Halit, S. Saib, Lahcene Azzouz, S. Maabed, M. Bouchenafa, Rajeev Ahuja
Topics & Concepts
Materials scienceBand gapPseudopotentialDebye modelDirect and indirect band gapsBulk modulusAb initioTernary operationDensity functional theoryLocal-density approximationElectronic band structureRefractive indexElastic modulusLattice constantThermodynamicsCondensed matter physicsDiffractionOpticsOptoelectronicsComputational chemistryPhysicsComposite materialChemistryComputer scienceQuantum mechanicsProgramming languageCrystal Structures and PropertiesSolid-state spectroscopy and crystallographyInorganic Chemistry and Materials