First principle study of X2GaAgCl6 (X = Cs, Rb) double perovskites: structural, mechanical, vibrational, electronic, optical, SLME, thermoelectric, and thermodynamic properties for solar cell applications
Zia Ur Rehman, Muhammad Awais Rehman, Muhammad Rashid Khan, Bushra Rehman, Surajudeen Sikiru, Muhammad Rizwan, Mohammed Chafi, Muhammad Usman
Topics & Concepts
Thermoelectric effectMaterials scienceSolar cellFirst principleElectronic structureThermoelectric materialsCondensed matter physicsThermodynamicsOptoelectronicsChemistryComputational chemistryDensity functional theoryPhysicsPerovskite Materials and ApplicationsHeusler alloys: electronic and magnetic propertiesSolid-state spectroscopy and crystallography