Effect of biaxial strain and hydrostatic pressure on the magnetic properties of bilayer CrI3

TL;DR

This study uses first-principles calculations and Monte Carlo simulations to show how biaxial strain and hydrostatic pressure can tune the magnetic properties of bilayer CrI3, including magnetic anisotropy, exchange interactions, and Curie temperature.

Contribution

It demonstrates the potential to control magnetic properties of 2D materials through mechanical strain and pressure, providing insights for spintronics applications.

Findings

Biaxial strain and pressure can tune magnetic anisotropy and exchange interactions.

Large compressive strain can induce magnetic phase transitions.

Hydrostatic pressure significantly increases the Curie temperature.

Abstract

Two-dimensional van der Waals magnetic materials are intriguing for applications in the future spintronics devices, so it is crucial to explore strategy to control the magnetic properties. Here, we carried out first-principles calculations and Monte Carlo simulations to investigate the effect of biaxial strain and hydrostatic pressure on the magnetic properties of the bilayer CrI3. We found that the magnetic anisotropy, intralayer and interlayer exchange interactions, and Curie temperature can be tuned by biaxial strain and hydrostatic pressure. Large compressive biaxial strain may induce a ferromagnetic-to-antiferromagnetic transition of both CrI3 layers. The hydrostatic pressure could enhance the intralayer exchange interaction significantly and hence largely boost the Curie temperature. The effect of the biaxial strain and hydrostatic pressure revealed in the bilayer CrI3 may be generalized to other two-dimensional magnetic materials.