DFT Study of the Structural Stability, Electronic, Magnetic, and Elastic Properties of the Binary Intermetallic Compounds AB2 (A = Ti, Zr; B = Cr, Mn and Fe)
Murad Murad, Zahid Ali
Topics & Concepts
IntermetallicDensity functional theoryMaterials scienceAntiferromagnetismParamagnetismLaves phaseFerromagnetismGround stateCondensed matter physicsElectronic structureChemistryComputational chemistryMetallurgyAtomic physicsPhysicsAlloyIntermetallics and Advanced Alloy PropertiesMXene and MAX Phase MaterialsHeusler alloys: electronic and magnetic properties