Structural, mechanical, electronic, and thermoelectric properties of TiZrCo2Bi2, TiHfCo2Bi2, and ZrHfCo2Bi2 double half Heusler semiconductors
Amel Slamani, Friha Khelfaoui, Oufaa Sadouki, A. Bentayeb, Keltouma Boudia, Fadila Belkharroubi
Topics & Concepts
Thermoelectric effectLattice constantMaterials scienceDensity functional theoryBulk modulusCondensed matter physicsSemiconductorElectronic band structureShear modulusDirect and indirect band gapsBand gapElectronic structureAnisotropyThermoelectric materialsThermodynamicsChemistryComputational chemistryComposite materialDiffractionPhysicsOptoelectronicsQuantum mechanicsHeusler alloys: electronic and magnetic propertiesAdvanced Thermoelectric Materials and DevicesMXene and MAX Phase Materials