Xie, Z;
Sui, Y;
Buckeridge, J;
Sokol, AA;
Keal, TW;
Walsh, A;
(2018)
Prediction of multiband luminescence due to the gallium vacancy-oxygen defect complex in GaN.
Applied Physics Letters
, 112
, Article 262104. 10.1063/1.5026751.
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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.
| Type: | Article |
|---|---|
| Title: | Prediction of multiband luminescence due to the gallium vacancy-oxygen defect complex in GaN |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1063/1.5026751 |
| Publisher version: | https://doi.org/10.1063/1.5026751 |
| Language: | English |
| Additional information: | This version is the version of record. For information on re-use, please refer to the publisher’s terms and conditions. |
| Keywords: | Science & Technology, Physical Sciences, Physics, Applied, Physics, VAPOR-PHASE-EPITAXY, YELLOW LUMINESCENCE, ELECTRONIC-STRUCTURE, DOMINANT ACCEPTOR, POINT-DEFECTS, BASIS-SETS, PHOTOLUMINESCENCE, POTENTIALS, MECHANISM, PACKAGE |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Chemistry |
| URI: | https://discovery.ucl.ac.uk/id/eprint/10052708 |
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