Half-Metallic Ferromagnetism in Chalcopyrite (AlGaMn)P2 Alloys
Table 2
Substitution energies, magnetic moments, and total energy difference between FM and AFM states of Mn-doped AlGaP2 with respect to the site of Mn dopant. Mn0.5, Mn1.0, Mn1.5, and Mn2.0 correspond to the concentration of 3.125, 6.25, 9.375, and 12.5% Mn, respectively.