Magnetic Phase Transition in Strained Two-Dimensional CrSeTe Monolayer

Abstract

Tunable magnetic phase transition in two-dimensional materials is a fascinating subject of research. We perform first-principle calculations based on density functional theory to clarify the magnetic property of CrSeTe monolayer modulated by the biaxial compressive strain. Based on the stable structure confirmed by the phonon calculation, CrSeTe is determined to be a ferromagnetic metal that undergoes a phase transition from a ferromagnetic state to an antiferromagnetic state with nearly 2.75% compressive strain. We identify the stress-magnetism behavior originating from the changes in interactions between the nearest-neighboring Cr atoms (J 1) and the next-nearest-neighboring Cr atoms (J 2). Through Monte Carlo simulation, we find that the Curie temperature of the CrSeTe monolayer is 160 K. The CrSeTe monolayer could be an intriguing platform for the two-dimensional systems and potential spintronic material.