A DYNAMIC CRITERION FOR SIMULATING HIGH-RESOLUTION ELECTRON-MICROSCOPY IMAGES IN THE REAL-SPACE MULTISLICE METHOD

A dynamical convergence criterion for the real-space multislice method for simulating high-resolution electron microscopy images has been derived. This criterion imposes a practical limitation in determining dynamically the number of terms of the propagation operator P(R) expanded in the subsequent dynamical diffraction calculations concerned with the phase grating selected, the wavefunction and its variation during propagating after choosing the sampling interval delta and the slice thickness epsilon. It has been found that, as long as the dynamic criterion is satisfied, much better agreement with the results using a fast Fourier transform multislice method can be obtained.