Its hard to identify point defects using XRD, photoluminescence (PL) is better option. PL gives you idea about defect energy level related to defect present in your sample.

But i think PL will only give surface information and not bulk, is it not? I haven't used PL anytime yet. So, sorry if im wrong. 

There is no specific measurement which can be used directly to quantify point defect in materials. However, u can used assumption methods from first principle calculation, density theory, and also directly seen under tem microscopy. However, the data is not represents the bulk properties. XRD only gve u structural details, in which not deep as point defects.

Thank you. As mehtioned, TEM is localized and needs expertise in TEM. Positron annihilation is one technique which i know of for pt defect estimation. But beamline facility is not available here. 

Hi, For quantification of point defects, dislocation, ... You can use multiple diffraction of X-rays, dynamic theory of diffraction.

Best regards.

Dear Dr. Anuj Bisht 

Have a nice day

X-ray diffraction can illustrate the shift in the diffraction lines and shows the broadening of these diffraction lines, nothing more and nothing less. From these observation one can study the crystallite size as well as the crystal defects, like the lattice strain, the average microstrain, the dislocation density.

Most of the the other defects will contribute to lineshift and/or linebroadening.So, unraveling these effects seems me very difficult. 

Please you can go through my research gate page for more details. These papers may help you in you study. 

Good luck

https://www.researchgate.net/publication/277952808_Final_-_Microstructure_and_crystal_imperfections_of_nanosized_CdSxSe1-x_thermally_evaporated_thin_films_-_final_form

https://www.researchgate.net/publication/278157949_Final_-_Crystal_imperfections_and_Mott_parameters_of_sprayed_nanostructure_IrO2_thin_films

https://www.researchgate.net/publication/300093556_Microstructural_characterization_of_Al-Mg_alloys_by_X-ray_diffraction_line_profile_analysis_------_IJAR-4360_--_9-4-2016

Data Final - Microstructure and crystal imperfections of nanosize...

Data Final - Crystal imperfections and Mott parameters of sprayed...

Data Microstructural characterization of Al-Mg alloys by X-ray di...

Thank you Dr. Ahmed. I use XRD LPA for crystallite size and  dislocation density quantification. 

But don't know how to use XRD pattern for point defect quantification. 

 Dear Dr. Anuj Bisht

I also have the same problem and find an answer in 2 articles of russian authors. If it can help you I attached these articles (unfortunately in russian).

All the best!

Thank you Dr. Nadiia. I will try to use google translator and understand the journal.