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Principles and Performance of a PC-Based Program for Simulation of Double-Axis X-Ray Rocking Curves of Thin Epitaxial Films

Published online by Cambridge University Press:  22 February 2011

D. Keith Bowen ,
Neil Loxley ,
Brian K. Tanner ,
Lynne Cooke  and
Michael A. Capano
D. Keith Bowen
Affiliation:
Bede Scientific Instruments, Lindsey Park, Bowburn, Durham, DH6 5PF, UK
Neil Loxley
Affiliation:
Bede Scientific Instruments, Lindsey Park, Bowburn, Durham, DH6 5PF, UK
Brian K. Tanner
Affiliation:
Bede Scientific Instruments, Lindsey Park, Bowburn, Durham, DH6 5PF, UK
Lynne Cooke
Affiliation:
Bede Scientific Instruments, Lindsey Park, Bowburn, Durham, DH6 5PF, UK
Michael A. Capano
Affiliation:
Dept of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge 02139 USA. Now at Wright Patterson Air Force Base Dayton Ohio
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Abstract

PC-based software for the rapid simulation of double-axis X-ray rocking curves from epitaxial thin films by solution of the Takagi-Taupin equations is described. The principles of the mathematical model are discussed. Graded layers and interface roughness are treated by piece-wise approximation to linear or quadratic functions and fractional relaxation of each epilayer may be included. The reliability of the data-bases incororated are examined and the requirement for internal consistency demonstrated. Bench-mark tests are reported for various PC-compatible microcomputers. The shift in epilayer peak position, which occurs experimentally on reducing layer thickness at constant composition, is predicted in the simulations and compared with other simulated data in the literature. Detailed studies of generated data have been undertaken and compared with independent simulations and experimental data. Agreement is excellent.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 208: Symposium J – Advances in Surface and Thin Film Diffraction , 1990 , 113
Copyright
Copyright © Materials Research Society 1991

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References

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