A comprehensive DFT study on the physical properties of XCrAl (X= Fe, Co, Ni, Cu) half-Heusler alloys for applications in high-temperature technology
Minhajul Islam, Md Abdur Rob Sheikh
Topics & Concepts
Materials scienceDebye modelLattice constantDensity functional theoryMagnetic momentCondensed matter physicsBand gapDensity of statesSpin polarizationElectronic structureElectronic band structureThermodynamicsDiffractionComputational chemistryChemistryOpticsElectronOptoelectronicsPhysicsQuantum mechanicsHeusler alloys: electronic and magnetic propertiesMXene and MAX Phase MaterialsIntermetallics and Advanced Alloy Properties