Structural, phononic, opto-electronic and elasto-mechanical properties of LiXBe (X = N, P) half Heusler compounds
Muhammad Nasir Rasul, Tao Hu, Memoona Mehmood, Farah Andleeb, M.S. Akbar, Alina Manzoor, Altaf Hussain
Topics & Concepts
WIEN2kMaterials scienceDensity functional theoryFermi levelCondensed matter physicsSpintronicsBand gapElectronic structureDensity of statesHOMO/LUMOElectronic band structureAnisotropyComputational chemistryLocal-density approximationOptoelectronicsFerromagnetismPhysicsChemistryOpticsQuantum mechanicsMoleculeElectronHeusler alloys: electronic and magnetic propertiesBoron and Carbon Nanomaterials ResearchMXene and MAX Phase Materials