Vibration analysis of hexagonal boron nitride based on semiempirical quantum mechanical methods

Abstract Two-dimensional nanoelectromechanical resonators have broad prospects in sensors, RF signal processing, storage and computing. In this paper, taking hexagonal boron nitride (h-BN) as an example, the boundary problem of nano-resonator in vibration process is studied in detail. The semi-empirical quantum mechanics method xTB is used to simulate the vibration process of h-BN. At the same time, a plate model with elastic constraint is established, and the natural frequency of the structure is obtained by using the modified Fourier series method. The results show that the plate model with elastic constraints can not only accurately describe the boundary conditions in the vibration process, but also accurately predict the effects of temperature, size and pre-strain on vibration. This provides a feasible solution for the boundary problem of nano-resonator in the process of vibration.