First-Principles Calculations of Novel Lead-Free X2GeSnI6 (X = Rb, Cs) Double Perovskite Compounds for Optoelectronic and Energy Exploitations
Malak Azmat Ali, M. Musa Saad H.‐E., Ammar M. Tighezza, Shaukat Ali Khattak, Samah Al‐Qaisi, Muhammad Faizan
Topics & Concepts
Thermoelectric effectSeebeck coefficientMaterials scienceDensity functional theorySemiconductorFigure of meritPerovskite (structure)Thermoelectric materialsOptoelectronicsCondensed matter physicsElectronic band structurePhononThermal conductivityElectrical resistivity and conductivityHalideDirect and indirect band gapsBand gapDensity of statesChemistryComputational chemistryThermodynamicsCrystallographyPhysicsInorganic chemistryComposite materialQuantum mechanicsPerovskite Materials and ApplicationsHeusler alloys: electronic and magnetic propertiesThermal Expansion and Ionic Conductivity