What is the standard procedure to calculate crystallite size and lattice strain using XRD data. How accuracy the Scherrer formula is. Can I use it to calculate crystallite size and also How about crystalline density?
In the attached file you can find a ste-by-step procedure to calculate the crystallite size fron XRD data using the Scherrer equation. This is not a research paper. It is a experimental procedure.
Ideally as mentioned in the attachment from Maria Teresa, most modern diffractometers have suitable software included for peak profiling etc
Many assumptions are required to utilise the Scherrer method. Not least amongst them is that most people assume a strain free sample to calculate a crystallite size. In addition these methods assume a defined peak profile - Lorentzian or Gaussian. Close inspection of any diffraction reflection profile will shown a much more complex peak shape. Such complex behaviour can readily be handled to modern software packages to derive size and shape analysis.
No it will not allow you to calculate a crystal density by these methods.
Maria Teresa you have uploaded the Pdf file about crystallite size determination remained very helpful for me please shared more pdfs related to other features e.g phase dtermination,texture determination ,stress measurement etc determined byXRD.here is my [email protected]
Dear JayaKumar G,
strain is the change (delta L = L- Lo) of length divided by the original length Lo.
Strain = (delta L)/Lo. So strain is a result of a ratio of two physical quantities having the same physical dimensions (here lengths); and therefore strain has got no physical dimension. Thus the unit of strain is equal to 1 and does not pop up at all.
https://en.wikipedia.org/wiki/Stress%E2%80%93strain_curve
can calculate lattice distortion using XRD for bulk samples ..particularly high entropy alloys.. plz help
Dear Raj Kumar
You can refer the attached paper to plot Williamson-Hall plot. Particularly the BaTiO3 paper. And for Microstrain You can refer NIM B paper.
Enjoy
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