Half analytical method with application to the high order Laue zone effects in monoclinic and triclinic crystals.
The simulation of the high order Laue zone (HOLZ) diffractions of monoclinic and triclinic crystals is a very complicated problem. The conventional multislice (MS) method suffers from the problem of infinity of the phase grating size. To avoid the difficulty of the infinity, Chen et al. arranged the phase grating plane along the ab plane of the crystal lattice. In this paper we introduce a new method which allows the incident and exit wavefunction planes perpendicular to the zone axis without the difficulty of infinity. We name the method half analytical method. The results calculated by half analytical method are in good agreement with those calculated by the conventional MS method.
Cai
Can Ying
CY
Institute of Modern Physics, Key Laboratory of Low Dimensional Materials & Application Technology of Ministry of Education, Xiangtan University, Xiangtan 411105, China.
Zeng
Song Jun
SJ
Liu
Hong Rong
HR
Yang
Qi Bin
QB
D003461:Crystallography / Q000379:methods*; D008432:Mathematical Computing