Theoretical prediction of Curie temperature in two-dimensional ferromagnetic monolayer

TL;DR

This paper introduces an improved Monte Carlo-based method for accurately predicting the Curie temperature in 2D ferromagnetic monolayers, demonstrated on CrI3, aiding the design of spintronic devices.

Contribution

An enhanced method that accounts for multiple near-neighbor interactions to more precisely estimate Curie temperatures in 2D ferromagnets.

Findings

The method accurately predicts TC in CrI3 under biaxial strain.

It outperforms mean-field formulas in precision.

The approach can be extended to other 2D lattices.

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.