LAUSR

Based on the density functional theory first-principles method, we have investigated the electronic structures and magnetic properties of Co mono-doped and (Co,Ga) co-doped LiNbO 3 systems. The results demonstrate that Co mono-doped LiNbO 3 favors a spin-polarized state. The total magnetic moment is 2.04 μ B, and the doped Co atom provides magnetic moments of 1.05 μ B. It is found that the 2Co doped LiNbO 3 system is ferromagnetic at room temperature with Δ E F M of − 34.6 meV. Furthermore, for the (Co,Ga) co-doped LiNbO 3 system, the ferromagnetic state is more stable than the anti-ferromagnetic state with Δ E F M of − 172.4 meV. It is intriguing that the ferromagnetic stability is increased significantly. Although Ga itself has no contribution to the magnetic moments, (Co,Ga) co-doped LiNbO 3 can induce spin-polarization. These results provide a new route for the potential applications of dilute magnetic semiconductors in spintronic devices by employing (Co,Ga) co-doped LiNbO 3.Based on the density functional theory first-principles method, we have investigated the electronic structures and magnetic properties of Co mono-doped and (Co,Ga) co-doped LiNbO 3 systems. The results demonstrate that Co mono-doped LiNbO 3 favors a spin-polarized state. The total magnetic moment is 2.04 μ B, and the doped Co atom provides magnetic moments of 1.05 μ B. It is found that the 2Co doped LiNbO 3 system is ferromagnetic at room temperature with Δ E F M of − 34.6 meV. Furthermore, for the (Co,Ga) co-doped LiNbO 3 system, the ferromagnetic state is more stable than the anti-ferromagnetic state with Δ E F M of − 172.4 meV. It is intriguing that the ferromagnetic stability is increased significantly. Although Ga itself has no contribution to the magnetic moments, (Co,Ga) co-doped LiNbO 3 can induce spin-polarization. These results provide a new route for the potential applications of dilute magnetic semiconductors in spintronic devices by employing (Co,Ga...