First principle calculations of the structural, elastic, electronic and transport properties of XRuAs (X = Ta and V)
J. O. Akinlami, O.O. Odeyemi, M. O. Omeike, G.A. Adebayo
Topics & Concepts
Materials scienceSeebeck coefficientDensity functional theoryThermoelectric effectThermal conductivityCondensed matter physicsThermoelectric materialsLattice constantElectronic structureElectronic band structureDensity of statesBand gapTantalumThermodynamicsComputational chemistryComposite materialChemistryMetallurgyPhysicsDiffractionOptoelectronicsOpticsHeusler alloys: electronic and magnetic propertiesAdvanced Thermoelectric Materials and Devices2D Materials and Applications