Hydrogen in anion vacancies of semiconductors
Journal Article
·
· Physical Review B
- ORNL
Density functional calculations show that, depending on the anion size, hydrogen in anion vacancies of various II-VI semiconductors can be either two-fold or four-fold coordinated, and has either amphoteric or shallow donor character. In general, the multi-coordination of hydrogen in an anion vacancy is the indication of an anionic H, H { ion, in the relatively ionic environment. In more covalent semiconductors, H would form a single cation-H bond in the anion vacancy.
- Research Organization:
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
- Sponsoring Organization:
- USDOE National Nuclear Security Administration (NNSA)
- DOE Contract Number:
- DE-AC05-00OR22725
- OSTI ID:
- 969318
- Journal Information:
- Physical Review B, Vol. 79, Issue 20; ISSN 1098-0121
- Country of Publication:
- United States
- Language:
- English
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