Janus V₂AsP monolayer : a ferromagnetic semiconductor with a narrow band gap, a high Curie temperature and controllable magnetic anisotropy

Abstract

The search and design of two-dimensional (2D) magnetic semiconductors for spintronics applications are particularly significant. In this work, we investigated the electronic and magnetic properties of Janus structure based on Dirac half-metallic VP monolayer by first-principles calculations. Due to the vertical symmetry breaking, Janus V2AsP monolayer becomes an intrinsic ferromagnetic semiconductor with a narrow band gap of 0.21 eV. We analyzed the electronic structure and origin of the in-plane easy axis in Janus V2AsP. The electron effective mass is anisotropic and only 0.129 m0 along the x-direction. The Curie temperature Tc and magnetic anisotropy energy (MAE) of Janus V2AsP reach 490 K and 178 µeV per V atom, respectively. A uniaxial tensile stain εx of 5% can increase its band gap and MAE to 0.39 eV and 210.6 µeV per V atom while maintaining its Tc being above room temperature. Moreover, the direction of the easy axis can be changed between the in-plane x- and y-direction by a small uniaxial tensile strain εx of 2%. Our study can motivate further research on the design the magnetic semiconductors in Janus structures based on 2D Dirac half-metals for spintronics applications.

Electronic, optical, and transport properties of single-layer ZrTeS4: a DFT study

“…[36][37][38] Moreover, their unique properties have been shown to be advantageous in fiber optics, photovoltaics, communication, photocatalysis and sensors. [39][40][41] It is necessary to investigate new families of single-layer materials such as MTeX 4 (M = Zr, Hf and X = S, Se). The cleavage energies of single-layer ZrS 3 , ZrTeSe 4 , and HfTeSe 4 are close to that of graphene.…”