What are the different ways to find out crystallographic orientation relationships (CORs) between crystalline film and substrate? Can I find out CORs theoretically?
I think the only EXPERIMENTAL way is to obtain the SAED pattern from the interface, index the pattern and find out which two directions are parallel. Preparing the specimen is a key. You may see Williams and Carter book for cross sectional specimen preparation.
True!! But in this case the sample is a film deposited on a substrate. So, how about polishing? I am not quite sure. Maybe the experts can suggest better.
For the theoretical part you have to work with some group algebra. Have a look at the ideas behind the coincidence sure lattice CSL. The the simple case for fcc-hcp, the hcp grows for instance with the 0001 on the cubic 001 or with the 11-20 on the 110
Do you have access to Valerie Randle's book titled 'Microtexture Determination and its applications''? If you have, then pls read Chapters 2, 3 and 6 (CSL described very well). If you need the book, let me know.
For cubic and hcp phase, the most preferable OR is : (1 1 1)cubic ∥ (0 0 0 1)hcp, [01¯1]cubic∥[112¯0]hcp. It also can be predicted by the geometrical consideration (the overlap of recipical lattice points of two adjoining crystals).Pls see paper: Scripta Materialia 01/2007; 56(9):773-776 and reference herein.
If you have structurally related sublattices (111) planes of ccp structure usually matches (0001) planes of the hcp structure. See, e.g. structurally related pairs like sphalerite-wurtzite, diamond-lonsdaleite, spinel-chrysoberyl (or taaffeite), etc.
Cheers,
Alex
Article Twinning and epitaxial growth of taaffeite-type modulated st...
Article Stacking Faults and Twin Boundaries in Sphalerite Crystals f...
I have previously worked in a group where we have worked on growing hexagonal AlN on cubic Si... We have used TEM to investigate the crystallographic orientation between film and substrate (papers are available on ResearchGate). We found reasons like lattice mismatch, geometric alignments of lattice planes, etc to explain e.g. a two-domain structure in the film.
Maybe this inof helps to answer your question on how to predict this theoretically...