  In the field of 2D materials, transition metal dichalcogenides (TMDs) are
gaining attention for electronic applications. Our study delves into the
H-phase monolayer VS$_2$ of the TMD family, analyzing its electronic structure
and how strain affects its band structure using Density Functional Theory
(DFT). Using a variety of computational methods, we provide an in-depth view of
the electronic band structure. We find that strains between -5\% and +5\%
significantly affect the energy gap, with uniaxial strains having a stronger
effect than biaxial strains. Remarkably, compressive strains induce a phase
shift from semiconducting to metallic, associated with symmetry breaking and
changes in bond length. These findings not only deepen our understanding of the
electronic nuances of monolayer VS$_2$ under varying strains but also suggest
potential avenues for creating new electronic devices through strain
engineering.

Materials Science