Xie, Zijuan;
Buckeridge, John;
Catlow, C Richard A;
Zhang, Anping;
Keal, Thomas W;
Sherwood, Paul;
Lu, You;
... Sokol, Alexey A; + view all
(2023)
Overcoming the compensation of acceptors in GaN:Mg by defect complex formation.
APL Materials
, 11
(8)
, Article 080701. 10.1063/5.0148858.
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Abstract
In GaN:Mg, the MgGa acceptor is compensated extensively by the formation of nitrogen vacancies (VN) and Mg interstitials (Mgi). However, we show that such compensation can be overcome by forming two kinds of Mg-rich complexes: one that contains VN and the other that contains only MgGa and Mgi. Such complexing not only neutralizes VN and Mgi but also forms better complex acceptors that have lower formation energies and smaller hole localization energies than isolated MgGa. Our results help explain the different doping behaviors in samples grown by different methods.
| Type: | Article |
|---|---|
| Title: | Overcoming the compensation of acceptors in GaN:Mg by defect complex formation |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1063/5.0148858 |
| Publisher version: | https://doi.org/10.1063/5.0148858 |
| Language: | English |
| Additional information: | © 2023 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/). |
| Keywords: | Hybrid density functional calculations, Localized states, Luminescence, Solid state chemistry, Interatomic potentials |
| 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-pp.ucl.ac.uk/id/eprint/10174928 |
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