As the crystallogarphic information of one element is considered easily to obtain Reitveld Refinement of nanostructure but to obtain Reitveld Refinement of diffrent elements doped in one is a complex process. Please suggest me the procedure to do so in Full Proof Suite.
You are basically asking for the fit of a multiphase material. It is efficiently done in FULLPROF. You will find that, in EdPCR there are options to add phases. You have to add multiple phases there, which could have independent space group, lattice parameters, linewidth and strain values. Then, for the best fit you have to find the quantitative ratio of the two materials in your sample. Go through this tutorial video:
https://youtu.be/lW5cwmqz_G4
However if you are looking for low %age substitutional doping, then you may work with a single phase. There the positions of Ni and Cd are identical. So, while inserting the atomic positions and information, you have to insert values of Ni similar to that of Cd.
The only thing is, the occupancy has to be adjusted. If you are doping 5% Ni, then the occupancy of Cd and Ni will be 0.95 and 0.05, you can also vary the occupancy to optimize best fitting. In this way, you can also get the true doping percentage.
While setting profile take care stoichiometric concentrate of starting material 90:10 or 95:5
Which help you in calculation
- Badges
- Science topic
- Similar topics
- Chemistry
- Nanotechnology
- Nanostructures