Spin exchange, electronic correlation, and thermoelectric transport in Rb <sub>2</sub> GeMBr <sub>6</sub> (M = V, Mn, Ni) halide double perovskites from first principles calculations
Mudasir Younis Sofi, Mohd. Shahid Khan, Mohd. Shahid Khan, M. Ajmal Khan, M. Ajmal Khan
Abstract
At 300 K, Rb 2 GeVBr 6 , Rb 2 GeMnBr 6 , and Rb 2 GeNiBr 6 exhibit high thermoelectric figure of merit ( zT ) values of 1.00, 0.99, and 0.98, respectively, underscoring their significant potential for renewable energy applications.
Topics & Concepts
HalideMaterials scienceThermoelectric effectCondensed matter physicsFigure of meritSpin (aerodynamics)Thermoelectric materialsSeebeck coefficientEnergy (signal processing)Electronic structureThermoelectric generatorElectronic band structureRenewable energyPerovskite Materials and ApplicationsHeusler alloys: electronic and magnetic propertiesThermal Expansion and Ionic Conductivity