BREADTH -- a PC program for analyzing diffraction-line broadening

A simple program for analyzing the diffraction line broadening is available. The program calculates domain size and strain from input integral breadths of at least two physically broadened diffraction-line profiles.

Besides the so-called simplified integral-breadth methods, the program calculates the root-mean-square strain and both area- and volume-weighted domain sizes, together with the associated estimated standard deviations, according to the alternative integral-breadth method ("double-Voigt"), which is equivalent to the Warren-Averbach approximation.

More information can be found in the papers Advances in X-Ray Analysis 38 (1995) 397 and Journal of Applied Crystallography 28 (1995) 244.

Download the self-extracting file BREADTH-4.EXE. After you run it, five files will be created:

README.1st, BREADTH.EXE, BREADTH.PDF, AG100L5.BRI, BREADTH.OUT. Please, read the README.1st file first.

BREADTH is a very basic program for analyzing diffraction line broadening. Please note that it requires the parameters of physically broadened line profile on input, that is, you have to correct for the influence of instrument (instrumental broadening) prior to the input in BREADTH. SHADOW is a program that can be used for that purpose, in case you don't have any similar program at hand. Download the self-extracting file SHADOW-3.EXE and unpack it in the same way as BREADTH-4.EXE and read the READ.ME and other text files first.

NEW:

SLH (SHADOW's Little Helper, authored by Jens Müller) is a suite of programs developed to make running SHADOW and preparation of input files for BREADTH easier. The self-extracting file SLH.EXE also includes full versions of SHADOW and BREADTH with examples. It is highly recommended that users download this program.

Copyright notice:

This program is copyrighted by Davor Balzar (www.du.edu/~balzar, balzar@du.edu). It is free for noncommercial use, provided that the reference is made to the following publication:

D. Balzar and H. Ledbetter, J. Appl. Cryst. 26 (1993) 97-103.

For all other (commercial) use of the program or the method, a prior written permission from the author has to be obtained.  

 

Bibliography:

D. Balzar, H. Ledbetter, Accurate Modeling of Size and Strain Broadening in the Rietveld Refinement: the "Double-Voigt" Approach, Advances in X-ray Analysis 38 (1995) 397-404.

D. Balzar, BREADTH -- a Program for Analyzing Diffraction Line Broadening, Journal of Applied Crystallography 28 (1995) 244-245.

D. Balzar, J. Appl. Cryst. 25 (1992) 559-570.

D. Balzar and H. Ledbetter, J. Appl. Cryst. 26 (1993) 97-103.

D. Balzar, in Defect and Microstructure Analysis from Diffraction, edited by R.L. Snyder, H.J. Bunge, and J. Fiala, International Union of Crystallography Monographs on Crystallography No. 10 (Oxford University Press, New York, 1999) pp. 94-126. REPRINT (PDF)

D. Balzar, J. Res. Natl. Inst. Stand. Technol. 98 (1993) 321-353.

 

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Last updated on December 6, 2005