Characteristics of bulk and monolayer VTe, including phonon, magnetic, and optical as affected by an electric field and biaxial strain

The generalized gradient approximation of density functional theory was employed to evaluate the electrical, magnetic, and optical characteristics of the zinc-blende VTe compound in bulk and monolayer phases. The phonon calculation and the strain results are also investigated in the current study for both bulk and monolayer VTe compound. The electrical measurements revealed that the electric fields have an extensive influence on the monolayer, a remarkable outcome on the size of the energy gap, and there is a significant influence on the maganic properties of the VTe compound. This material also displays half metallicity in the bulk phase, and the lattice constant is found to be 8.54 Å at equilibrium. In the monolayer case, the energy gap is found to be 0.36 eV at the equilibrium lattice constant of 12.1 Å. According to the phonon calculations, this compound is dynamically stable in the two cases (bulk & monolayer VTe compound). The VTe compound maintains the half-metallic property once they convert it to monolyer. The half-metallic property can still be preserved for strong strains. The optical characteristics, along with the remarkable electrical and magnetic properties, enhance the capability of utilizing VTe compound in optoelectronic devices and the upcoming spintronic applications.