First principle computation of half metallicity and mechanical properties of a new series of half Heusler alloys KMnZ (Z = B, Si, Ge, As) for spintronics
M. Shakil, Memoona Kousar, S.S.A. Gillani, Muhammad Rizwan, Hafsa Arshad, Muhammad Rafique, Muhammad Zafar
Topics & Concepts
SpintronicsWIEN2kCondensed matter physicsAntiferromagnetismMaterials scienceDensity functional theoryFerromagnetismMagnetic momentBand gapCurie temperatureDensity of statesElectronic structurePhysicsLocal-density approximationQuantum mechanicsHeusler alloys: electronic and magnetic propertiesMXene and MAX Phase MaterialsBoron and Carbon Nanomaterials Research