Electronic Structures of Rare-earth Half-metallic Ferromagnet CoLa2O4

The half-metallic ferromagnet CoLa₂O₄ was predicted based on density function theory. Its magnetic and electric properties were studied systematically. Results show that CoLa₂O₄ has half-metallicity and its molecular magnetic moment is 3.00 μ_B, which is lower than 4.0 μ_B of Fe₃O₄. CoLa₂O₄ is more sensitive than Fe₃O₄ in the same applied field. La-ions have little spin polarization. The electronic structures of a Co-ion and a La-ion are a_1g ¹↑a_1g ¹↓t_1u ³↑t_1u ³↓e_g ²↑e_g ²↓t_2g ³↑ and a_1g ¹↑a_1g ¹↓t_1u ³↑t_1u ³↓ t_2g ³↑t_2g ³↓e_g ²↑e_g ²↓e_g ^2*↑e_g ^2*↓, respectively.