XRD operator provide me only peak lists: 2 theta values, FWHM and d-values. Could anyone suggest me the way of analysis these results?
You can yous (X'pert High Score Plus) program.
For this, after you setup the program, you have to insert its last version library.
Next you save your data in a (Text Document), and then you have to exchange the extension of the file from "txt" to "asc". Note, files with "asc" extension can be editable, so if you would edit it, you must change the extension to its original form.
In (X'pert High Score Plus) program you can open your "asc" file, which appears as XRD pattern. Now, you may find peaks from (treatment tab), and then from (analysis tab) you will given all compounds and other constituents in you material.
At the end, the program can give you report in "doc" form.
This should provide the basic knowledge and then get some previous publications.
Introduction to X-Ray Powder Diffraction Data Analysis ,
The following presentation is useful for this query.
thanks
Dear Khawla Al-saidi
You can determine the crystallite size from the data using Scherrer formula. Then you can also calculate different microstructural parameters such as Strain and Dislocation Density, Micro Stress, Texture Coefficient, Lattice Parameter etc.
Ahmed Y. Yassin
@ Tapash Chandra Paul
How I can calculate crystallite size and intensity of peak from this data
First identify your prominent/characteristics peak of your sample/material. Then use the θ value from 2θ and FWHM of the corresponding prominent/characteristics peak in the scherrer formula to calculate the crystallite size.
Scherrer formula: D=Kλ/βcosθ, where D is the crystallite size, K=0.9, λ=wavelength you used the radiation, β=FWHM and θ= Bragg angle.
Plot the XRD in origin. You can measure intensity of peak from the XRD graph.
Most diffractomers come with a software package where indexing of the diffraction pattern and phase analysis can be performed. So first identify your phases (chemical species) and then use some software to perform any other analysis you need, such as refining the unit cell parameters, crystal structure, strain, crystal size and a lot of other stuff. This was a long time ago, but I found Fullprof to be the best software for Rietveld refinement. But that was my personal taste, other people liked other programs. You can find usefull links on this page http://www.unf.edu/~michael.lufaso/crystallo_software.html
Since the peak width/shape depends on several factors I would not recommend calculating the crystal size without refining the other parameters as well. Strain, poor crystallinity, etc. all give their contribution to the peak shape.
Ahmed Y. Yassin A spectrum has energy on the x-axis and intensity on the y-axis. In diffraction methods you have diffraction angle on the x-axis and intensity on the y-axis. Data from X-ray/neutron/electron diffraction experiments are called diffraction patterns or diffractograms.
you can get the phase present in your xrd profile by using the JCPDS database. you can also refine your data by the process of Rietveld refinement by using free softwares.
You may read the following book
"Elements of X-RAY DIFFRACTION" by B. D. CULLITY.
First find out your characteristics peak of your sample. Then use the θ value from 2θ and FWHM of the corresponding peak in the scherrer formula to calculate the crystallite size.
Scherrer formula: D=Kλ/βcosθ, where D is the crystallite size, K=0.9, λ=wavelength you used the radiation, β=FWHM and θ= Bragg angle.
Plot the XRD in origin.
You can yous (X'pert High Score Plus) program.
For this, after you setup the program, you have to insert its last version library.
Next you save your data in a (Text Document), and then you have to exchange the extension of the file from "txt" to "asc". Note, files with "asc" extension can be editable, so if you would edit it, you must change the extension to its original form.
In (X'pert High Score Plus) program you can open your "asc" file, which appears as XRD pattern. Now, you may find peaks from (treatment tab), and then from (analysis tab) you will given all compounds and other constituents in you material.
At the end, the program can give you report in "doc" form.
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