Magnetic tuning in a novel half-metallic Ir2TeI2 monolayer

Abstract A two-dimensional (2D) high-temperature ferromagnetic half-metal whose magnetic and electronic properties can be flexibly tuned is required for the application of new spintronics devices. In this paper, we predict a stable Ir 2 TeI 2 monolayer with half-metallicity by systematical first-principles calculations. Its ground state is found to exhibit inherent ferromagnetism and strong out-of-plane magnetic anisotropy of up to 1.024 meV per unit cell. The Curie temperature is estimated to be 293 K based on Monte Carlo simulation. Interestingly, a switch of magnetic axis between in-plane and out-of-plane is achievable under hole and electron doping, which allows for the effective control of spin injection/detection in such 2D systems. Furthermore, the employment of biaxial strain can realize the transition between ferromagnetic and antiferromagnetic states. These findings not only broaden the scope of 2D half-metal materials but they also provide an ideal platform for future applications of multifunctional spintronic devices.