Theoretical prediction of Curie temperature in two-dimensional ferromagnetic monolayer

Abstract

Theoretical prediction of Curie temperature (TC) is of vital importance for designing the spintronic devices in two-dimensional (2D) ferromagnetic materials. Herein, based on the extensive investigation of Monte Carlo simulations, we summary and propose an improved method to estimate TC more precisely, which includes the different contributions of multiple near-neighbor interactions. Taking monolayer CrI3 as an example, the trends of TC with biaxial strain are investigated via Monte Carlo simulations, mean-field formulas and our method. Besides, our method is not only accurate and convenient to predicting the TC in 2D ferromagnetic honeycomb lattice CrI3 but it can be extended for predicting the TC of other 2D lattices. Our work paves the way to accelerate the prediction and discovery of novel 2D ferromagnets for spintronic applications.