Journal
APPLIED PHYSICS LETTERS
Volume 88, Issue 26, Pages -Publisher
AMER INST PHYSICS
DOI: 10.1063/1.2218303
Keywords
-
Categories
Ask authors/readers for more resources
The effect of hydrostatic pressure on local vibrational modes of hydrogen defects in ZnO has been studied by first-principles methods. We find that the sign and magnitude of the frequency shift rate are strongly dependent on the local environment. In the case of isolated hydrogen, the bond centered (BC) and antibonding (AB) configurations lead to positive and negative pressure shifts, in agreement with previous work. However, this result cannot be extended to defect-hydrogen complexes. In general, the sign of the shift does not indicate whether the hydrogen atom is located at a BC or AB site.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available