EXPLORING HALF-METALLIC FERROMAGNETISM IN II-IV-V2 CHALCOPYRITE’S FOR SPINTRONIC APPLICATIONS

This research investigates new
magnetic materials (II-IV-V2 chalcopyrite’s)
for spintronic applications. Using firstprinciples
calculations with density
functional theory (DFT), the study explores
their structural, electronic, and magnetic
properties. The compounds exhibit stable
ordered body-centered tetragonal (BCT)
chalcopyrite structures, with some
displaying half-metallic ferromagnetic
behavior. ZnMX2 and CdMX2 (M = V, Cr,
Mn; X = P, As) compounds exhibit strong
half metallic (HM) property, while ZnFeX2
and CdFeX2 show stable ferromagnetic
(FM) property. Theoretical predictions
suggest that the ZnMX2 and CdMX2 (M =
V, Cr, Mn) are potential spin injectors for
spintronic devices. This work highlights the
significance of LSDA and GGA exchangecorrelation
effects in determining the
materials half-metallicity, structural
stability, and ground-state properties.
Perhaps, the present study provide valuable
insights for further experimental
investigations and materials design in
spintronics.