Electronic and magnetic properties of La₂NiMnO₆ and La₂CoMnO₆ with cationic ordering

Abstract

Employing first‐principles electronic structure calculations, the electronic and magnetic properties of La₂NiMnO₆ and La₂CoMnO₆ with Ni/Mn and Co/Mn ordering in (001), (110), and (111) directions are investigated. The ground states of La₂NiMnO₆ and La₂CoMnO₆ are ferromagnetic semiconducting with alternative Ni/Mn and Co/Mn ordering along the (111) direction. Furthermore, it is found that La₂NiMnO₆ and La₂CoMnO₆ are half‐metal with Ni/Mn or Co/Mn ordering along (001) and (110) after considering the effect of electronic correlation. Our results would be helpful in exploring more spintronics materials.