Prediction of the electronic structure, optical and vibrational properties of ScXCo2Sb2 (X = V, Nb and Ta) double half-Heusler alloys: a theoretical study
Z. Charifi, H. Baaziz, Ş. Uğur, G. Uğur
Topics & Concepts
Fermi levelMaterials scienceBand gapOptical conductivityCondensed matter physicsFermi energyAb initioAtomic orbitalAb initio quantum chemistry methodsElectronic structureElectronic band structurePhononAtomic physicsPhysicsElectronMoleculeQuantum mechanicsHeusler alloys: electronic and magnetic propertiesIntermetallics and Advanced Alloy PropertiesAdvanced Thermoelectric Materials and Devices