Reputable all,
It's humble request for facts approximately correlation between variation of conductivity of material with XRD Pattern.From some other studies the conductivity of polymeric material is increasing with sensitisation.Can it's feasible to explain through the xrd peaks broadening pattern?
XRD peaks broadening may indicate a reduction on crystallite size.. In some nanomaterial the reduced size would enhance certain catalytic properties or electrical conduction properties..but other than that..is not alway a definitive answer
XRD broadening depicts a change in the crystallite size.
The following articles may help you to find your answer:
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Article Effect of Cu-N co-doping on the dielectric properties of ZnO...
Article Effect on the dielectric properties due to In–N co-doping in...
From the XRD pattern get crystallographic information. From the crystallographic information used the Density Functional Theory and try to get the electric property from the band structure and try to correlate the XRD pattern and the electric conductivity.
Hello sir, From the refinement of XRD data you can explain the conductivity if mixed valence cation is present in your sample. From the refined data, you can study the bond valence sum, which may help your conductivity explanation.
From the XRD pattern you cannot get the valency state of mixed valence ions on refining the data. Of course one get the average structure and not the exact structure from the refinement. Is there any evidence that some one has correlated the crystal structure and conductivity using the XRD pattern. @ Md Saiful Alam.
Dear Dharmadoss Sornadurai , you are right sir. We can get an average valence state of mixed valence cation, it is not exact but indicates an oxidation state. The reference article discusses details about the bond valence study. We find there is a relationship. Maybe this is not the same for all materials. Sir, for further discussion I will happy. Thank you in advance. [email protected]
Article A comprehensive study of structure, oxygen vacancy, and elec...
Dear Md Saifful Alam from the text books we might have learnt about atomic form factor. For example the neutral Cu atom will have more scattering factor than the single charged Cu (negative charged) atom. So if you can find the atomic factor from the XRD pattern of a material one can find the valence state of the element. But to the best of my knowledge only the atomic positions can be found from the XRD technique. For identifying the valence state one has to do the XPS study.
Dear Dharmadoss Sornadurai thank you for sharing. From the refinement, we can evaluate the distance between the atoms, which is helpful to estimate bond valence. This is just an indication, not accurate. I fully agree that XPS is an accurate technique for identifying the valence state.
Dear Md Saifful Alam, once again I want to tell you that XRD technique is for finding the average structure not a true structure. If you want really find the true bond distance you have to carry out the pair distribution function study.
To get a sustainable solution to your problem, please refer to the preprint article given at link DOI: 10.13140/RG.2.2.27720.65287/3 or at link https://www.researchgate.net/publication/352830671.
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