Tunable Magnetic and Electronic Properties of the 2D CoO2 Layer

Abstract

By performing first-principles calculations, we find that the predominant spin exchange of a hexagonal CoO2 layer is in proximity to the ferromagnetic-to-antiferromagnetic transition point. Its magnetic ground state can be easily altered by, e.g., substrate dielectricity and strain. In addition, the dopability of a stack of CoO2 layers is found to sensitively depend on the interlayer distance, which not only renders effective manipulation of the electronic property but also reveals an important intercalation effect in related bulk materials.