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Kovac, Nicola ; Künneth, Christopher ; Alt, Hans Christian:
Piezospectroscopy and first-principles calculations of the nitrogen-vacancy center in gallium arsenide.
In: Journal of Applied Physics.
Bd. 123
(2018)
Heft 16
.
- 161583.
ISSN 1089-7550
DOI: https://doi.org/10.1063/1.5011302
Abstract
The nitrogen-vacancy (NV) center occurs in GaAs bulk crystals doped or implanted with nitrogen. The local vibration of nitrogen gives rise to a sharp infrared absorption band at 638 cm–1, exhibiting a fine structure due to the different masses of neighboring 69Ga and 71Ga host isotopes. Piezospectroscopic investigations in the crystallographic ⟨100⟩ direction prove that the center has C3v point symmetry, which is weakly perturbed by the isotope effect. The stress-induced shifts of some band components show an unusual non-linear behavior that can be explained by coupling between the isotope and the stress splitting. First-principles density-functional theory calculations are in full accordance with the experiments and confirm the C3v symmetry, caused by relaxation of the nitrogen atom from the anion lattice site towards the nearest-neighbor Ga plane. Furthermore, the calculations indicate the –3 charge state of the center as the most stable one for nearly all Fermi level positions. The NV center in GaAs is structurally analogous to the same center in diamond.
Weitere Angaben
| Publikationsform: | Artikel in einer Zeitschrift |
|---|---|
| Begutachteter Beitrag: | Ja |
| Institutionen der Universität: | Fakultäten > Fakultät für Ingenieurwissenschaften > Juniorprofessur Computational Materials Science > Juniorprofessur Computational Materials Science - Juniorprof. Dr. Christopher Künneth Fakultäten Fakultäten > Fakultät für Ingenieurwissenschaften Fakultäten > Fakultät für Ingenieurwissenschaften > Juniorprofessur Computational Materials Science |
| Titel an der UBT entstanden: | Nein |
| Themengebiete aus DDC: | 600 Technik, Medizin, angewandte Wissenschaften > 620 Ingenieurwissenschaften |
| Eingestellt am: | 05 Mai 2023 08:47 |
| Letzte Änderung: | 05 Mai 2023 08:47 |
| URI: | https://eref.uni-bayreuth.de/id/eprint/76171 |