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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

2023Journal of Inorganic and Organometallic Polymers and Materials55 citationsDOI

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
First-Principles Calculations of Novel Lead-Free X2GeSnI6 (X = Rb, Cs) Double Perovskite Compounds for Optoelectronic and Energy Exploitations | Litcius