First Principle Study of Structural, Electronic, Elastic, and Magnetic Properties of Half-Heusler Compounds ScTiX (X = Si, Ge, Pb, In, Sb, and Tl)
Nasir Rahman, Mudasser Husain, Juan Yang, G. Murtaza, Muhammad Sajjad, Anwar Habib, Abdul Karim, Syed Zulfiqar, Mahmood Ul Haq, Abdur Rauf, Mohammad Nisar, Muhammad Yaqoob Khan
Topics & Concepts
WIEN2kMaterials scienceSpintronicsDensity functional theoryCondensed matter physicsLattice constantFerromagnetismMagnetic momentFermi levelElectronic structurePhysicsLocal-density approximationComputational chemistryChemistryQuantum mechanicsDiffractionElectronHeusler alloys: electronic and magnetic propertiesMXene and MAX Phase MaterialsBoron and Carbon Nanomaterials Research