My question is that if i have a alloy that composed up of two or three materials than which peak i select to calculate the crystal size for example if i have Copper alloy in which iorn as well as silver also present than for (1) which element peak we choose and (2) which specific peak we choose for crystal size calculation because there are many peaks for single element.
The quations to be more specific. If you mean grain size then the answer is as follows;
Half maximum peak width is used to calculate the grain size crystal, usually the grains have size in the range of microns and that's mostly used fo grains in thin films and for a single phase materials. The same process can be used for two or more phases if their pattern Is identified.
I think you should be selective while calculating crystallite size using Scherrer's formula. You should choose some well defined peaks from the XRD pattern of all the phases (Cu and Fe in your case) and should take their Full Width at Half Maximum to calculate the crystallite size. Finally average the value.
The crystallite sizes (D) can be calculated using the Stokes –Wilson equation
D=lamda/(Peta C cos(theta))
and PetaC is the crystallite integral breadth was determined by subtraction of the instrumental broadening using the following equation
PetaC= Peta-Peta instrumental
Peta is the integral breadth of the diffraction peak and Peta instrumental is the instrumental integral breadth in radian units. The peaks of the diffraction pattern peaks were fitted with Lorentzian line-shape. The integral breadth defined as
Peta= Peak area/ maximum intensity
Also, you should choose peaks with different miller indices like (hkl), (hk0), (00l), and (h0k)
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