Elastic, anisotropic, lattice dynamics and electronic properties of XNiM and XNi2M (X = Ti, Zr, Hf; M = Sn, Ge, Si): DFT comparison study
Edward Tindibale, Winfred M. Mulwa, B.I. Adetunji
Topics & Concepts
Materials scienceDensity functional theoryAnisotropyHeusler compoundCondensed matter physicsLattice constantModuliShear modulusAb initioElectronic structureCrystallographyComputational chemistryChemistryComposite materialPhysicsDiffractionQuantum mechanicsOrganic chemistryOpticsHeusler alloys: electronic and magnetic propertiesAdvanced Thermoelectric Materials and DevicesMXene and MAX Phase Materials