Electronic structure and magnetism in g-C_4N_3 controlled by strain engineering

摘要

Regulation of magnetism and half-metallicity has attracted much attention because of its potential in spintronics. The magnetic properties and electronic structure of graphitic carbon nitride (g-C_4N_3) with external strain are determined theoretically based on the density function theory and many-body perturbation theory (G_0W_0). Asymmetric deformation induced by uniaxial strain not only regulates the magnetic characteristics but also leads to a transformation from half-metallicity to metallicity. However, this transition cannot occur in the structure with symmetric deformation induced by biaxial strain. Our results suggest the use of strain engineering in metal-free spintronics applications.