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Computational comparison of the conventional multislice method and the real space multislice method for simulating exit wavefunctions.

作者信息

Cai Can Ying, Zeng Song Jun, Liu Hong Rong, Yang Qi Bin

机构信息

Institute of Modern Physics, Xiangtan University, Xiangtan 411105, China.

出版信息

Micron. 2009 Apr;40(3):313-9. doi: 10.1016/j.micron.2008.11.003. Epub 2008 Nov 13.

DOI:10.1016/j.micron.2008.11.003
PMID:19110435
Abstract

The simulation of exit wavefunctions of a TEM sample is carried out by both the conventional multislice (C-MS) method and the real space multislice (RS-MS) method, with a series of different slice thicknesses. Surprisingly, the results calculated by the RS-MS method remain constant to seven significant figures when the slice thicknesses are changed within a wide range, while those calculated by the C-MS method change significantly. From the mathematical point of view, the C-MS method is only a first order approximation of the RS-MS method. Thus, the calculation precision of the RS-MS method is much higher than that of the C-MS method. Or to achieve the same precision, the slice thickness for the RS-MS method can be taken as two orders of magnitude larger than for the C-MS method in the simulation. As a result, the calculation speed for the RS-MS method may be even faster than that for the C-MS method in some cases. For the two advantages stated above, the RS-MS method may be more suitable for precise calculations.

摘要

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