NUMERICAL CONVERGENCE OF DYNAMIC CALCULATIONS OF REFLECTION HIGH-ENERGY ELECTRON-DIFFRACTION INTENSITIES

被引：32

作者：

ICHIMIYA, A

机构：

[1] Department of Applied Physics, School of Engineering, Nagoya University, Chikusa-ku, Nagoya

来源：

SURFACE SCIENCE | 1990年 / 235卷 / 01期

关键词：

D O I：

10.1016/0039-6028(90)90108-K

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Numerical convergence of multi-slice dynamical calculations of reflection high-energy electron diffraction (RHEED) intensities for numbers of slices, atomic layers and beams is reported for a Ag(001) surface. Criterions of the convergence for numbers of slices and atomic layers are delivered by a thermal vibration amplitude of atoms and an electron absorption coefficient, respectively. From comparison of the curves of 11-beam calculation for the zeroth Laue zone and those of 61-beam calculation with higher order Laue zones, it is revealed that low-order RHEED intensities obtained by the 11-beam calculation are not significantly different from those of the 61-beam calculation. Therefore, calculated RHEED intensities for the zeroth Laue zone spots are obtained well by dynamical calculation with a beam set in only the zeroth Laue zone. Effects of the Debye-Waller factor on RHEED intensities of higher order Laue zones are also discussed. © 1990.

引用

页码：75 / 83

页数：9

共 28 条

[1]

Bethe H, 1928, ANN PHYS-BERLIN, V87, P55

[2] HIGH-ENERGY ELECTRON-DIFFRACTION AT SI(001) SURFACES [J].