Probing the structural, opto-electronic, mechanical, and thermoelectric properties of novel lead free semiconductor double perovskites Rb2MgMnX6 (X = Cl, Br, I): First principle study
Danish Abdullah, Dinesh C. Gupta
Topics & Concepts
Materials scienceIonic bondingThermoelectric effectCovalent bondThermoelectric materialsSemiconductorDensity functional theoryDensity of statesChemical bondElectronic structureSeebeck coefficientElectronic band structureCondensed matter physicsChemical physicsThermal conductivityComputational chemistryThermodynamicsOptoelectronicsIonChemistryComposite materialPhysicsOrganic chemistryPerovskite Materials and ApplicationsAdvanced Thermoelectric Materials and DevicesThermal Expansion and Ionic Conductivity