Strain-Controllable High Curie Temperature, Large Valley Polarization, and Magnetic Crystal Anisotropy in a 2D Ferromagnetic Janus VSeTe Monolayer

Abstract

Two-dimensional (2D) intrinsic ferromagnetic semiconductors are important for spintronics. A highly stable ML (monolayer) Janus 2H-VSeTe with intrinsic ferromagnetism is investigated by density functional theory. The biaxial strain could effectively tune the magnetic and electronic properties of Janus VSeTe. Specifically, the magnetic moment, band gap, Curie temperature (Tc), and valley splitting (Δ) could be modulated, as the states near the Fermi level are mainly contributed by the in-plane atomic orbitals. The VSeTe could be switched from ferromagnetic (FM) order to antiferromagnetic (AFM) ground state, under biaxial strains. And the corresponding Tc is tuned from 360 K (4%) to 0 K (-10.7%). However, VSeTe can be modulated from bipolar magnetic semiconductor (BMS) to half-semiconductor (HSC), spin gapless semiconductor (SGS), half-metal (HM), and even normal metal as the biaxial strain varies from -13 to 10%. Moreover, the easy and hard axes could be switched from each other, and the magnetocrystalline anisotropy (MCA) energy is also controlled by the strains. The Δ is also increased from 158 to 169 meV as the strain varies from 3.3 to -3.0%. The magnetic and electronic phase transitions in the strained VSeTe are observed, which could help researchers to investigate the controllable electronic and magnetic properties in electronics, spintronics, and valleytronics.