Structural, electronic, optoelectronic and transport properties of LuZnCuAs2 compound: First principle calculations under DFT
Muhammad Waqas Iqbal, Mumtaz Manzoor, Hira Ateeq, Sikander Azam, Ghulam Murtaza, Sikandar Aftab, Muhammad Arshad Kamran, Abdul Majid
Topics & Concepts
WIEN2kFigure of meritMaterials scienceThermal conductivityCondensed matter physicsBand gapDensity functional theoryDensity of statesSeebeck coefficientRefractive indexOptical conductivityLocal-density approximationLutetiumElectrical resistivity and conductivityElectronic structureOptoelectronicsChemistryComputational chemistryPhysicsComposite materialYttriumQuantum mechanicsMetallurgyOxideAdvanced Thermoelectric Materials and DevicesChalcogenide Semiconductor Thin FilmsHeusler alloys: electronic and magnetic properties