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First-principle calculations to investigate structural, electronic, optical, thermodynamic, and thermoelectric properties of ABO3 (A=Cs, Rb and B= Ta, Nb) compounds

Saadi Berri, N. Bouarissa

2021Emergent Materials43 citationsDOI

Topics & Concepts

Thermoelectric effectMaterials scienceDebye modelSeebeck coefficientDensity functional theoryCondensed matter physicsThermodynamicsThermoelectric materialsElectronic structureChemistryComputational chemistryPhysicsPerovskite Materials and ApplicationsHeusler alloys: electronic and magnetic propertiesChalcogenide Semiconductor Thin Films
First-principle calculations to investigate structural, electronic, optical, thermodynamic, and thermoelectric properties of ABO3 (A=Cs, Rb and B= Ta, Nb) compounds | Litcius