Study on the effects of strain and electrostatic doping on the magnetic anisotropy of GaN/VTe2 van der Waals heterostructure

Abstract Using a first-principles approach, this study delves into the effects of strain and electrostatic doping on the electronic and magnetic properties of the GaN/VTe 2 van der Waals (vdW) heterostructure. The results reveal that when the GaN/VTe 2 vdW heterostructure is doped with 0.1 h /0.2 h of electrostatic charge, its magnetization direction undergoes a remarkable reversal, shifting from out-of-plane orientation to in-plane direction. Therefore, we conduct a thorough investigation into the influence of electron orbitals on magnetic anisotropy energy. In addition, as the strain changes from −1% to 1%, the 100% spin polarization region of the GaN/VTe 2 vdW heterostructure becomes smaller. It is worth noting that at a doping concentration of 0.1 h , the GaN/VTe 2 vdW heterostructure has a Curie temperature of 30 K above room temperature. This comprehensive study provides valuable insights and provides a reference for analyzing the electronic and magnetic properties of low-dimensional systems.