My high resolution rocking curve data of single crystal specimen gives multiple peaks in a single peak or multiple peaks spread over a few degrees contrary to the observation of single sharp peak of a near-perfect crystal. Can anyone suggest if it's possible to extract any qualitative or quantitative information about the defects in the crystal or any literature which describes such observation. The data is repeatable and captured multiple times using lab-based high resolution XRD machines as well as on high energy synchrotron.
Effectively, you are not seeing a single crystal.
First: are you sure that all these structures come from your sample?
If yes, then there is a long way for the identification of any of them.
a) Multiple peaks in a single peak could be due to spinodal decomposition (phases with very close lattice parameters).
b) Multiple peaks spread over a few degrees could be due to the presence of oxide impurities, bad crystallization, lack of symmetry of the observed phases, between other possibilities.
Thanks for the answer.
(a) These are single phase materials with simple cubic lattice structures. The measurements were taken at room temperature.
(b) The purity of the as-grown crystals are high (5N). My main objective was to evaluate the defect density form the rocking curves.
I have attached some sample rocking curves. You can check it.
Doesn't look like a perfect crystal... how you know that it is a perfect crystal? what is the material? What are the units of theta?
Theta is in degrees. Could be an imperfect single crystal, it has large subgrains (~400 micrometers) with misorientation of about 0.05 degrees.
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