Hi

No need of further treatments.... From the xrd data you can find the FWHM. Which peak is maximum from that you can take the FWHM.

Best

Hello,

X'pert high score plus is a great software for search and match procedure, you can use it as a great tool for phase identification. However, when it is come to the XRD data analysis, it lacks many features, and I would say in many cases it will give you wrong result.

The typical peak determination and FWHM calculation would give you very off result, zoom in to the peaks, you will see unmatching between the determined peak and the actual one, see (pick.jpg)

better result could be obtained if you do Rietveld refinement with high score plus, however it is not very accurate, see (pic-2.jpg).

The best way is to do Rietveld refinement using one of the specific tools for it, like Fullprof Suite or GSAS. And use that FWHM to calculate the crystallite size by Scherrer equation.

Pair in mind you had to measure a Si standard sample first, and obtain FWHM of the Si peaks, which you will consider as the machine broadening (Si peak width is negligible)

Peak width = Instrumental width + Crystallite Size Effect width

So you need to subtract the instrumental width from the measured FWHM of your sample, you need to choose peaks at the same 2-theta. or you can use the tangential equation to get the instrumental broadening at any wanted angle.

FWHM = (U tan^2 (θ) + V tan (θ) + W)1/2

U, V and W will be obtained by Rietveld refinement.

Even though, this method still an estimation, and there are many contribution to the broadinning, it is useful for qualitative report but not very accurate.

good luck,

I agree with Yazan!

You need to do rietveld refinement and add at least one standard (quartz maybe) to help you with that! Some Refinement softwares have specific options to cancula crystallite size and strains (I know BRASS).

Good luck!

Thanks to all could any one provide me link for free download of xpert highscore plus.