DFT investigation of structural, elastic, electronic, thermodynamic and optical properties of KCuZ (Z= Te, Se) solar absorbers
Madallah Yusuf, Felix O. Saouma, George S. Manyali, Job W. Wafula, Odanga Huxley
Topics & Concepts
Bulk modulusLattice constantTernary operationMaterials scienceBand gapSemiconductorAbsorption (acoustics)DielectricDirect and indirect band gapsElectronic structureMaterial propertiesElectronic band structureCondensed matter physicsThermodynamicsChemistryOpticsOptoelectronicsComposite materialComputational chemistryPhysicsProgramming languageComputer scienceDiffractionChalcogenide Semiconductor Thin FilmsAdvanced Thermoelectric Materials and DevicesHeusler alloys: electronic and magnetic properties