[Pw_forum] rectangular surface of Al2O3
Mostafa Youssef
myoussef at mit.edu
Mon Jul 4 12:05:40 CEST 2016
Dear Andrey,
I'm not particularly familiar with Al2O3 surfaces, but in general cutting rectangular surfaces can be accomplished in many cases by cutting the same surface from primitive cell instead of the conventional well.
For example (111) is not rectangular in tetragonal Hf2O based on the conventional cell. Starting from the primitive cell, this surface becomes (101) and the cut becomes rectangular.
I believe the primitive cell of Al2O3 is Rhombohedral.
Hope this helps.
Regards,
Mostafa
MIT
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20160704/a7fadacb/attachment.html>
More information about the users
mailing list