Prediction of multiband luminescence due to the gallium vacancy–oxygen defect complex in GaN

Journal article

Xie, Z., Sui, Y., Buckeridge, J., Sokol, A.A., Keal, T.W. and Walsh, A. (2018). Prediction of multiband luminescence due to the gallium vacancy–oxygen defect complex in GaN. Applied Physics Letters. 112, p. 262104. https://doi.org/10.1063/1.5026751
AuthorsXie, Z., Sui, Y., Buckeridge, J., Sokol, A.A., Keal, T.W. and Walsh, A.
Abstract

Oxygen is the most common unintentional impurity found in GaN. We study the interaction between substitutional oxygen (ON) and the gallium vacancy (VGa) to form a point defect complex in GaN. The formation energy of the gallium vacancy is largely reduced in n-type GaN by complexing with oxygen, while thermodynamic and optical transition levels remain within the bandgap. We study the spectroscopy of this complex using a hybrid quantum-mechanical molecular-mechanical embedded-cluster approach. We reveal how a single defect center can be responsible for multiband luminescence, including possible contributions to the ubiquitous yellow luminescence signatures observed in n-type GaN, owing to the coexistence of diffuse (extended) and compact (localized) holes.

Year2018
JournalApplied Physics Letters
Journal citation112, p. 262104
PublisherAIP
Digital Object Identifier (DOI)https://doi.org/10.1063/1.5026751
Web address (URL)https://aip.scitation.org/doi/abs/10.1063/1.5026751
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Print27 Jun 2018
Publication process dates
Accepted01 Jun 2018
Deposited22 Oct 2019
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Buckeridge et al. Reply:
Buckeridge, J., Catlow, C. R. A., Scanlon, D. O., Keal, T. W., Sherwood, P., Miskufova, M., Walsh, A., Woodley, S. M. and Sokol, A. A. (2015). Buckeridge et al. Reply: Physical Review Letters. 115 (2), p. 029702. https://doi.org/10.1103/PhysRevLett.115.029702
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