First-principles calculations of structural, elastic, electronic, magnetic, optical, thermoelectric, and dynamic properties of CoCrTe half-Heusler compound
Noorhan F. AlShaikh Mohammad, Mohammed S. Abu-Jafar, Jihad Asad, A. Bouhemadou, Ahmad A. Mousa, R. Khenata, Abdullah Chik
Topics & Concepts
WIEN2kDensity functional theoryMaterials scienceThermoelectric effectElectronic structureHeusler compoundMagnetic momentCondensed matter physicsElectronic band structureWork (physics)Band gapDeformation (meteorology)StiffnessLocal-density approximationComputational chemistryPhysicsThermodynamicsOptoelectronicsChemistryComposite materialHeusler alloys: electronic and magnetic properties2D Materials and ApplicationsMXene and MAX Phase Materials