Investigation of Electromechanical Properties of CF Monolayer

In this study, we delve into the electromechanical characteristics of the CF monolayer using ab initio theory. The CF monolayer possesses flexible mechanical properties with relatively small elastic coefficients. Additionally, our findings reveal that the CF monolayer can sustain significant strains of up to 24% along the x-axis and 14% along the y-axis under tensile stress. The critical stresses corresponding to these strain values are 21.79 N/m and 17.46 N/m, respectively. Specifically, as the charge varies from 0.00 to -0.07 e/atom, there is an increase in the failure strain along the x-axis, from 24% at equilibrium to 30% at -0.07 e/atom. At equilibrium, the CF monolayer is identified as a direct semiconductor with a band gap of 3.21 eV. Despite charge doping, the monolayer CF retains its direct semiconductor properties. Notably, the energy band gap of the CF monolayer is dependent on charge doping and can be modified by about 10%. Furthermore, the electronic properties of the CF monolayer suggest its potential applications in spin-polarized electronics. Our results provide evidence of the applicability of the CF monolayer in electronic devices.