Electronic and magnetic properties of silicene monolayer under bi-axial mechanical strain: First principles study

Mechanical control of electronic and magnetic properties 2D Van-der-Waals heterostructures gives new possibilities for further development spintronics information-related technologies. Using the density functional theory, we investigate structural, silicene monolayer with substituted Chromium atoms under a small biaxial strain (−6%<ε<8%). Our results indicate that Cr-doped nanosheets without have metallic, half-metallic or semiconducting depending on type substitution. We also show moments associated monomer vertical dimer substitutions change very weakly strain. However, moment horizontal substitution decreases when either compressive tensile is applied to system. Additionally, largest semiconductor band-gap approximately 0.13 eV zero silicene. Finally, leads irregular changes in Cr