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Piezospectroscopy and first-principles calculations of the nitrogen-vacancy center in gallium arsenide

MetadataDetails
Publication Date2018-01-31
JournalJournal of Applied Physics
AuthorsNicola Kovač, Christopher Künneth, Hans Christian Alt
InstitutionsMunich University of Applied Sciences
Citations1

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.

  1. 1985 - Proceedings of the 17th International Conference on the Physics of Semiconductors [Crossref]