Unusual Formation of Point-Defect Complexes in the Ultrawide-Band-Gap Semiconductor β − Ga 2 O 3

Johnson, Jared M.; Chen, Zhen; Varley, Joel B.; Jackson, Christine M.; Farzana, Esmat; Zhang, Zeng; Arehart, Aaron R.; Huang, Hsien-Lien; Genc, Arda; Ringel, Steven A.; Van de Walle, Chris G.; Muller, David A.; Hwang, Jinwoo

doi:10.1103/PhysRevX.9.041027

Title: Unusual Formation of Point-Defect Complexes in the Ultrawide-Band-Gap Semiconductor $β − {Ga}_{2} O_{3}$

Journal Article · Wed Nov 06 00:00:00 EST 2019 · Physical Review. X

DOI:https://doi.org/10.1103/PhysRevX.9.041027· OSTI ID:1573293

Johnson, Jared M.; Chen, Zhen; Varley, Joel B.; Jackson, Christine M.; Farzana, Esmat; Zhang, Zeng; Arehart, Aaron R.; Huang, Hsien-Lien; Genc, Arda; Ringel, Steven A.; Van de Walle, Chris G.; Muller, David A.; Hwang, Jinwoo

Understanding the unique properties of ultra-wide band gap semiconductors requires detailed information about the exact nature of point defects and their role in determining the properties. Here, we report the first direct microscopic observation of an unusual formation of point defect complexes within the atomic-scale structure of β-Ga₂O₃ using high resolution scanning transmission electron microscopy (STEM). Each complex involves one cation interstitial atom paired with two cation vacancies. These divacancy-interstitial complexes correlate directly with structures obtained by density functional theory, which predicts them to be compensating acceptors in β-Ga₂O₃. This prediction is confirmed by a comparison between STEM data and deep level optical spectroscopy results, which reveals that these complexes correspond to a deep trap within the band gap, and that the development of the complexes is facilitated by Sn doping through increased vacancy concentration. These findings provide new insight on this emerging material’s unique response to the incorporation of impurities that can critically influence their properties.

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Research Organization:: Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)

Sponsoring Organization:: USDOE Office of Energy Efficiency and Renewable Energy (EERE); USDOE National Nuclear Security Administration (NNSA); US Air Force Office of Scientific Research (AFOSR); National Science Foundation (NSF); Defence Threat Reduction Agency (DTRA)

Grant/Contract Number:: AC52-07NA27344; FA9550-18-1-0479; DMR-1539918; DMR-1719875; DMR-1429155; HDTRA1-17-1-0034

OSTI ID:: 1573293

Alternate ID(s):: OSTI ID: 1863689

Report Number(s):: LLNL-JRNL-832615; PRXHAE; 041027

Journal Information:: Physical Review. X, Journal Name: Physical Review. X Vol. 9 Journal Issue: 4; ISSN 2160-3308

Publisher:: American Physical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 73 works

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dopants
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Title: Unusual Formation of Point-Defect Complexes in the Ultrawide-Band-Gap Semiconductor β − Ga 2 O 3

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Title: Unusual Formation of Point-Defect Complexes in the Ultrawide-Band-Gap Semiconductor $β − {Ga}_{2} O_{3}$