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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

2025Physica B Condensed Matter14 citationsDOI

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
DFT investigation of structural, electronic, optical, mechanical, and thermoelectric properties of halide perovskites XZnCl3(X = Ag, Au, Cu) | Litcius