Investigation of elastic properties, buckling and vibration of antimonene nanosheets through DFT-based finite element modeling

Highlights: • Investigating elastic properties, buckling and vibration of antimonene via FEM. • Using DFT to obtain properties of elements in the FE approach. • Studying influences of geometrical parameters and boundary conditions. In this paper, antimonene nanosheets are simulated using finite element modeling. First, the elastic properties of antinomene are obtained using the density functional theory as well as the element properties, which are used to represent Sb-Sb bonds in the structure of antimonene. Then, developed model is used to calculate Young's modulus, critical compressive force and fundamental frequency of the antinomene nanosheet with different geometrical parameters. It is shown that proposed simulation can predict Young's modulus of monolayer antinomene accurately. Also, it is revealed that increasing the horizontal side length increases the stiffness of nanosheet, while increasing the vertical side length has the opposite result. Moreover, critical compressive force of nanosheet increases by increasing vertical side length, whereas increasing the horizontal side length leads to the opposite result. Furthermore, vibrational frequency of the antimonene significantly decreases by increasing horizontal side length, while changes observed by increasing vertical side length are negligible.