DFT analysis of mechanical, thermal, half-metallic, and thermoelectric properties of perovskites PrMnO3 and NdMnO3 ortho-manganite
A. Haoui, Mokhtar Elchikh, S. Hiadsi, A. Hireche Baghdad
Topics & Concepts
Materials scienceThermoelectric effectDensity functional theoryCondensed matter physicsThermal conductivityWIEN2kOrthorhombic crystal systemSpintronicsManganiteFerromagnetismThermoelectric materialsElectronic structureThermodynamicsComputational chemistryCrystallographyLocal-density approximationCrystal structureChemistryComposite materialPhysicsAdvanced Thermoelectric Materials and DevicesHeusler alloys: electronic and magnetic propertiesThermal properties of materials