DFT investigation of structural, electronic, optical, mechanical, and thermoelectric properties of halide perovskites XZnCl3(X = Ag, Au, Cu)
Abdul Shakoor, Bakhtiar Ul Haq, Sikander Azam, Fakhra Ghafoor, Muhammad Saqib, Muhammad Waqas, Hosung Seo, Muhammad Jawad
Topics & Concepts
Materials scienceHalideThermoelectric effectCondensed matter physicsElectronic structureDensity functional theoryChemical physicsPhysical chemistryThermodynamicsComputational chemistryInorganic chemistryPhysicsChemistryPerovskite Materials and ApplicationsHeusler alloys: electronic and magnetic propertiesChalcogenide Semiconductor Thin Films