Structural, electronic, elastic, magnetic, phonon and thermodynamic properties of inverse-Heusler-Ti2FeX (X=Si, Ge, and Sn): Insights from DFT-based computer simulation
M. Özduran, Melek Altay, A. İyigör, Murat Çanlı, Nihat Arıkan
Topics & Concepts
Debye modelMaterials scienceBulk modulusLattice constantCondensed matter physicsShear modulusPhononMagnetic momentDensity functional theoryThermodynamicsDensity of statesThermal expansionHeusler compoundBand gapHeat capacityElectronic band structureElectronic structurePhysicsQuantum mechanicsDiffractionOptoelectronicsMetallurgyComposite materialHeusler alloys: electronic and magnetic propertiesMXene and MAX Phase MaterialsBoron and Carbon Nanomaterials Research