Overcoming the compensation of acceptors in GaN:Mg by defect complex formation

Zijuan Xie; John Buckeridge; C. Richard A. Catlow; Anping Zhang; Thomas W. Keal; Paul Sherwood; You Lu; Scott M. Woodley; Alexey A. Sokol

doi:10.1063/5.0148858

Overcoming the compensation of acceptors in GaN:Mg by defect complex formation

Zijuan Xie, John Buckeridge, C. Richard A. Catlow, Anping Zhang, Thomas W. Keal, Paul Sherwood, You Lu, Scott M. Woodley, Alexey A. Sokol

Research output: Contribution to journal › Article › peer-review

2 Citations (Scopus)

Abstract

In GaN:Mg, the Mg_Ga acceptor is compensated extensively by the formation of nitrogen vacancies (V_N) and Mg interstitials (Mg_i). However, we show that such compensation can be overcome by forming two kinds of Mg-rich complexes: one that contains V_N and the other that contains only Mg_Ga and Mg_i. Such complexing not only neutralizes V_N and Mg_i but also forms better complex acceptors that have lower formation energies and smaller hole localization energies than isolated Mg_Ga. Our results help explain the different doping behaviors in samples grown by different methods.

Original language	English
Article number	080701
Pages (from-to)	080701
Journal	APL Materials
Volume	11
Issue number	8
DOIs	https://doi.org/10.1063/5.0148858 https://doi.org/10.1063/5.0148858
Publication status	Published - 1 Aug 2023

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© 2023 Author(s).

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10.1063/5.0148858Licence: CC BY 4.0

080701_1_5.0148858Final published version, 5.5 MBLicence: CC BY 4.0

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title = "Overcoming the compensation of acceptors in GaN:Mg by defect complex formation",

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.",

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T1 - Overcoming the compensation of acceptors in GaN:Mg by defect complex formation

AU - Xie, Zijuan

AU - Buckeridge, John

AU - Catlow, C. Richard A.

AU - Zhang, Anping

AU - Keal, Thomas W.

AU - Sherwood, Paul

AU - Lu, You

AU - Woodley, Scott M.

AU - Sokol, Alexey A.

PY - 2023/8/1

Y1 - 2023/8/1

N2 - 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.

AB - 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.

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U2 - 10.1063/5.0148858

DO - 10.1063/5.0148858

M3 - Article

SN - 2166-532X

VL - 11

SP - 080701

JO - APL Materials

JF - APL Materials

IS - 8

M1 - 080701

ER -

Overcoming the compensation of acceptors in GaN:Mg by defect complex formation

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