Cobalt-based full Heusler compounds Co2FeZ (Z = Al, Si, and Ga): A comprehensive study of competition between XA and L21atomic ordering with ab initio calculation
Y. El Krimi, R. Masrour
Topics & Concepts
Seebeck coefficientThermoelectric effectCondensed matter physicsMaterials scienceDensity functional theoryThermoelectric materialsBand gapElectronic band structureValence (chemistry)Ab initioAb initio quantum chemistry methodsThermal conductivityDirect and indirect band gapsGround stateFigure of meritDensity of statesChemistryComputational chemistryPhysicsOptoelectronicsThermodynamicsAtomic physicsOrganic chemistryComposite materialMoleculeHeusler alloys: electronic and magnetic propertiesAdvanced Thermoelectric Materials and DevicesSemiconductor materials and interfaces