Research Article

Unlocking the Magnetic and Half-Metallic Properties of AMY2 (A = Cu, Ag; M = Sc, Ti, V, Cr, Mn, Fe; Y = S, Se) Compounds in Chalcopyrite Structure: An Ab Initio Study for Spintronics Applications

Figure 1

Total energy (Ry)/f.u. as a function of volume (Å3) plots for nonmagnetic (NM), ferromagnetic (FM), antiferromagnetic (AFM) phases of CuMS2 (M = Sc, Ti, V, Cr, Mn, Fe) compounds using GGA.