The study investigates structural phase transitions in two-dimensional (2D) monolayers of molybdenum (Mo) and tungsten (W) dichalcogenides, which differ from graphene in having multiple crystal structures. These materials exhibit a poorly understood structural metal-to-insulator transition with long metastable lifetimes, which could lead to new applications. The researchers found that mechanical deformations, specifically tensile strains, can induce thermodynamic stability between a semiconducting and a metallic crystal structure. Using advanced density functional theory (DFT) and hybrid Hartree-Fock/density functional calculations, they identified MoTe₂ as an excellent candidate for phase change materials. The required tensile strains for transforming MoTe₂ under uniaxial conditions at room temperature range from 0.3% to 3%. The potential for mechanical phase transitions is predicted for all six studied compounds. The findings suggest that mechanical exfoliation and controlled strain application could enable dynamic phase switching in these materials, opening new avenues for flexible, low-power, and transparent electronic devices.The study investigates structural phase transitions in two-dimensional (2D) monolayers of molybdenum (Mo) and tungsten (W) dichalcogenides, which differ from graphene in having multiple crystal structures. These materials exhibit a poorly understood structural metal-to-insulator transition with long metastable lifetimes, which could lead to new applications. The researchers found that mechanical deformations, specifically tensile strains, can induce thermodynamic stability between a semiconducting and a metallic crystal structure. Using advanced density functional theory (DFT) and hybrid Hartree-Fock/density functional calculations, they identified MoTe₂ as an excellent candidate for phase change materials. The required tensile strains for transforming MoTe₂ under uniaxial conditions at room temperature range from 0.3% to 3%. The potential for mechanical phase transitions is predicted for all six studied compounds. The findings suggest that mechanical exfoliation and controlled strain application could enable dynamic phase switching in these materials, opening new avenues for flexible, low-power, and transparent electronic devices.