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

Zijuan Xie, Yu Sui, John Buckeridge, Alexey A. Sokol, Thomas W. Keal, Aron Walsh

Research output: Contribution to journalArticlepeer-review

12 Citations (Scopus)


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.

Original languageEnglish
Article number262104
JournalApplied Physics Letters
Issue number26
Publication statusPublished - 2018 Jun 25

Bibliographical note

Funding Information:
This project was supported by the EU Environment and PECO Program, partly through the Swedish Medical Council and the National Environmental Protection Board, by the Swedish Cancer Fund and by the Belgian Incentive Program for Health Hazards, funded by the Services of the Prime Minister and by grant No. 3157-3 IGA, Czech Ministry of Health.

Publisher Copyright:
© 2018 Author(s).

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy (miscellaneous)


Dive into the research topics of 'Prediction of multiband luminescence due to the gallium vacancy-oxygen defect complex in GaN'. Together they form a unique fingerprint.

Cite this