Establishment and Research of a Janus SbBiSi2 Monolayer Structure Model

By means of density functional theory (DFT) compute, we set up a fresh two-dimensional(2D) Janus $SbBiSi_{2}$ monolayer. The $SbBiSi_{2}$ monolayer has piezoelectric properties on account of the lack of inversion symmetry. The stability of the material is proved from the aspects of dynamics, thermodynamic and mechanics, and it has the possibility of synthesis in experiment. The band structutre indicates that the monolayer $SbBiSi_{2}$ is an indirect bandgap semiconductor. The energygaps is 0.91 eV when using generalized gradient approximation(GGA), and decreases to 0.51 eV when spin-orbit coupling(SOC) is added. Further, we explored the influence of strain regulation on the electronic structure and piezoelectric properties of $2DSbBiSi_{2}$ monolayer. When the biaxial strain Within the scope of (-0.06, 0.06) is applied to the $SbBiSi_{2}$ monolayer, the in-plane and out-of-plane piezoelectric coefficient $d_{11}$ and $d_{31}$ both reach the maximum value at 1.04 tensile strain, indicating that strain regulation has an enhanced effect on the piezoelectric properties. The piezoelectric properties of Janus monolayer $SbBiSi_{2}$ have great application prospects in 2D Piezoelectric materials have great application prospects in nanoscale devices such as active sensors and actuators.