Mechanical and thermodynamic stabilities, half-metallic and thermoelectric comparison between CoFeMnZ (Z = Si, Ge) Heuslers by DFT
Khatereh Sarvazad, Arash Boochani, Soroosh Zarghani, Babak Darabi, Pezhman Darabi
Topics & Concepts
Thermoelectric effectFigure of meritDensity functional theoryMaterials scienceThermodynamicsStoichiometryCondensed matter physicsFerromagnetismThermoelectric materialsBoltzmann constantStructural stabilityElectronic structurePhase diagramPhase (matter)Computational chemistryChemistryPhysical chemistryPhysicsOrganic chemistryOptoelectronicsStructural engineeringEngineeringHeusler alloys: electronic and magnetic propertiesAdvanced Thermoelectric Materials and DevicesMXene and MAX Phase Materials