LAUSR

The method of the first-principles calculations based on density functional theory (DFT) plus U (DFT + U) was employed to study the electronic structures and magnetic properties in Mn doped GaSb systematically in order to shed light on the potential of the system as a good candidate for ferromagnetic semiconductor with higher Curie temperature. The studied results show that both MnGa and MnSb substitutions can induce 4 μ B and 2 μ B total magnetic moment respectively in the system. The magnetic interactions among MnGas and MnSbs are all most ferromagnetic except the coupling between nearest-neighbor MnGa and MnSb. The ferromagnetic coupling mechanisms are discussed in this paper.