Stability, magnetic, electronic, elastic, thermodynamic, optical, and thermoelectric properties of Co2TiSn, Co2ZrSn and Co2HfSn Heusler alloys from calculations using generalized gradient approximation techniques
M.Y. Raïâ, R. Masrour, M. Hamedoun, J. Kharbach, A. Rezzouk, A. Hourmatallah, N. Benzakour, K. Bouslykhane
Topics & Concepts
WIEN2kFerrimagnetismMaterials scienceThermoelectric effectMagnetic momentCondensed matter physicsDensity functional theoryBand gapElectronic band structureChemical stabilityAnisotropyThermodynamicsElectronic structureLocal-density approximationOptoelectronicsMagnetic fieldComputational chemistryMagnetizationChemistryPhysicsOpticsQuantum mechanicsHeusler alloys: electronic and magnetic propertiesMXene and MAX Phase MaterialsAdvanced Thermoelectric Materials and Devices