Hi Everyone
I have two sets of samples of tetragonal BaTiO3, epitaxial films and single crystal. In STEM images, I can calculate the displacmeent of the Ti ions with respect to Ba cage. I am a bit confused with the possible dirfections that Ti ions might have. I assume the displacement should be along c axis, and a, which this later one is equivalent to b. It means that in my atomic resolution STEM images, I might expect 6 directions (+/-). Am I right? Can someone please correct me?
Thanks in advance.
I can't fully answer this question, but I recommend to have a look at this paper (maybe you need to ask for a copy of the full text): "Revisiting eigen displacements of tetragonal BaTiO3: Combined first principle and experimental investigation" (https://www.researchgate.net/publication/354307209)
Thanks, Jan-Martin, it seems that the paper covers what I am looking for, though I have to read it carefully. Best
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