Theoretical investigation of the magnetic properties of ferromagnetic CrI3 monolayer

Abstract

The CrI3 monolayer is the first ferromagnetic two-dimensional material experimentally discovered and the study of its properties is a hot topic. First-principles calculations and experimental measurements show that the CrI3 monolayer is a typical S=3/2 localized magnetic system. In the present work, we investigated the intrinsic magnetic properties of CrI3 monolayer based on the anisotropic Heisenberg model and using the double-time Green’s function method. The Hamiltonian parameter values of CrI3 monolayer are estimated theoretically based on the experimental Curie temperature of CrI3 monolayer and the experimental magnetic parameters of CrI3 bilayers. The spontaneous magnetization and zero-field susceptibility are calculated, and the critical behaviors of the system are analyzed. We observe that the maximum magnetic susceptibility value is sensitive to the isotropic exchange parameter and external magnetic field, but almost independent of anisotropic strengths.