Profile function with physical meaning the number 7 in
Fullprof
Thompson, Cox and Hastings
Instrumental contribution
The instrumental contribution in accordance with the paper of
Caglioti Pauletti and Ricci is gaussian (they worked with neutron ;-))
and it is controlle by the famous formula
The three terms account for basic broadening by slits(collimator),
wavelenght dispersion, monochromator mosaicity
influence of monochromator as described by Cagliotti
for instance for energy dispersion
(resolution) by derivation of the
Bragg formula

Sample contributions
XY are considered for FullProf for Gsas it is the opposite
Strain contribution
If Strain is defined as it is very easy
to derive the enlargment of the peaks as function of
by derivation of the Bragg formula
Size contribution
This size broadening is described by the Scherrer equation. We
now reproduce the simple derivation following Klug and Alexander (1974) or
Bilinge & Dinebier (2008). The derivation is build considering that for a crystal
for small deviation from Bragg angle there will be a plane for which
the difference of path lenght will be producing
destructive interference. If the crystal is too small such plane will never arrive and intensity will be present.

The additional beam path between consecutive lattice planes at is:
The corresponding phase difference is then:
The phase difference between the top and the bottom layer, p is then:
where is the crystallite size. Using a scale and the concept of integral breath:
generalizing for a spherical particle we obtain the Scherrer equation (K is function of grain shape, 0.89 for spheres) :