Electronic structure and magnetothermal properties of the Janus VSeTe monolayer manipulated by carrier doping

Abstract

Two-dimensional (2D) ferromagnetic materials with high magnetic crystalline anisotropy energy and high Curie temperature are in high demand for magnetic storage devices. In this work, we employ first-principles calculations and Monte Carlo simulations to systematically investigate the crystalline structure, and electronic and magnetic properties of the Janus VSeTe monolayer at different carrier concentrations. It is found that with appropriate carrier doping, the Janus VSeTe monolayer undergoes a transition from a semiconductor to a half-metal with 100% spin polarization. The obtained magneto crystalline anisotropy energy is 1157.72 µeV, and the easy magnetic axis undergoes a transition from the in-plane to out-of-plane with hole doping. In addition, the Janus VSeTe monolayer exhibits a valley splitting of 86 meV and a Curie temperature of 454 K. With hole doping, the valley splitting increases to 110 meV and the Curie temperature rises to 510 K. The coercivity calculated from the hysteresis loop is 0.13 T, and its hysteresis loss is low, showing its rapid response to external magnetic fields. Our work demonstrates the broad application potential of the Janus VSeTe monolayer in spintronic devices and provides theoretical support for future experiments.