摘要
通常的FFT多片层法(FFTMS)动力学衍射计算中,由于采用了边界采样点周期性延伸的假设,从而导致非周期结构高分辨象模拟的严重失真。在仔细研究这种误差成因的基础上,本文提出了一种适用于非周期结构的高分辨象模拟计算新方法,它基于实空间多片层(RSMS)象模拟计算方法,但在势投影及传播因数计算中充分考虑了非周期结构的特点,从而得到与实验符合较好的结果。
It is shown that the dynamical diffraction calculation using periodic extension of the sampling boundary points leads to serious and artificial errors in the High Resolution Electron Microscope (HREM) image simulation for a non-periodic object in FFT Multi-Slice (FFTMS) method which is now routinely used for the simulation of HREM images from periodic objects.
In a systematic study of the problem of induced numerical artifacts, a new method has been proposed for the HREM image simulation of non-periodic objects. It is based on some improvements in the calculation of the phase grating and the propagation operator to the Real Space Multi-Slice (RSMS) method, which are compatible with a non-periodic object.
It can be seen from the comparison with the experimental HREM images that much more better agreement can be obtained by using Real Space Multi-Slice method for Non-periodic objects (RSMSN).
出处
《物理学报》
SCIE
EI
CAS
CSCD
北大核心
1990年第9期1407-1412,T001,共7页
Acta Physica Sinica
