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 journalArticle

4 Citations (Scopus)

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.

Original languageEnglish
Article number262104
JournalApplied Physics Letters
Volume112
Issue number26
DOIs
Publication statusPublished - 2018 Jun 25

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gallium
luminescence
defects
oxygen
predictions
energy of formation
optical transition
point defects
signatures
impurities
thermodynamics
spectroscopy
interactions

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy (miscellaneous)

Cite this

Xie, Zijuan ; Sui, Yu ; Buckeridge, John ; Sokol, Alexey A. ; Keal, Thomas W. ; Walsh, Aron. / Prediction of multiband luminescence due to the gallium vacancy-oxygen defect complex in GaN. In: Applied Physics Letters. 2018 ; Vol. 112, No. 26.
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Prediction of multiband luminescence due to the gallium vacancy-oxygen defect complex in GaN. / Xie, Zijuan; Sui, Yu; Buckeridge, John; Sokol, Alexey A.; Keal, Thomas W.; Walsh, Aron.

In: Applied Physics Letters, Vol. 112, No. 26, 262104, 25.06.2018.

Research output: Contribution to journalArticle

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AU - Walsh, Aron

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