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Manuscript Title: Dynamical calculations for RHEED intensity oscillations
Authors: Andrzej Daniluk
Program title: RHEED
Catalogue identifier: ADUY_v1_0
Distribution format: tar.gz
Journal reference: Comput. Phys. Commun. 166(2005)123
Programming language: Borland C++.
Computer: Pentium-based PC.
Operating system: Windows 9x, XP, NT, Linux.
RAM: more than 1 MB
Word size: 64 bits
Keywords: Reflection high-energy electron diffraction (RHEED), Silicon, Scattering potential, Schrödinger equation, Rocking curve, Computer simulations.
PACS: 02.60.Cb, 61.14.Hg.
Classification: 7.2, 8.

Nature of problem:
Reflection high-energy electron diffraction (RHEED) is a very useful technique for studying growth and surface analysis of thin epitaxial structures prepared by the molecular beam epitaxy (MBE). Nowadays, RHEED is used in many laboratories all over the world where researchers deal with the growth of materials by MBE. The RHEED technique can reveal, almost instantaneously, changes either in the coverage of the sample surface by adsorbates or in the surface structure of a thin film. In most cases the interpretation of experimental results is based on the use of dynamical diffraction approaches. Such approaches are said to be quite useful in qualitative and quantitative analysis of RHEED experimental data.

Solution method:
RHEED intensities are calculated within the framework of the general matrix formulation of Peng and Whelan [1] under the one-beam condition. The dynamical diffraction calculations presented in this paper utilize the systematic reflection case in RHEED, in which the atomic potential in the planes parallel to the surface are projected on the surface normal, so that the results are insensitive to the atomic arrangement in the layers parallel to the surface. This model shows a systematic approximation in calculating dynamical RHEED intensities, and only a layer coverage factor for the n-th layer was taken into account in calculating the interaction potential between the fast electron and that layer.

Unusual features:
The program is presented in the form of a basic unit RHEED.cpp and should be compiled using C++ compilers, including C++ Builder and g++.

Running time:
The typical running time is machine and user-parameters dependent.

[1] L.M. Peng, M.J. Whelan, Surf. Sci. Lett. 238 (1990) L446.