Journal
PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS
Volume 259, Issue 6, Pages -Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/pssb.202100430
Keywords
codoping; density-functional theory; growth surfaces; III-nitride semiconductors
Categories
Funding
- Ministry of Education, Culture, Sports, Science, and Technology (MEXT), Japan [JPJ005357]
- JSPS KAKENHI [JP16H06418, JP20K15181]
- RIAM, Kyushu University Collaborative Research Program
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Understanding the impact of magnesium doping on the unintentional oxygen incorporation into GaN and AlN during epitaxial growth is crucial for the development of optical and electronic devices. The study reveals that magnesium doping energetically promotes unintentional oxygen incorporation, even when complex defect structures are present. The mechanism is discussed based on charge neutrality or electron-counting model in the growth surface.
Understanding the physics of unintentional doping and defect formation during epitaxial growth of III-nitride semiconductors is crucial to develop optical and electronic devices. Herein, the impact of magnesium doping on unintentional oxygen incorporation into GaN and AlN during metal-organic vapor-phase epitaxy is investigated by first-principles calculations. It is found that the presence of Mg substituting group-III atoms (Ga or Al) in subsurface layers energetically promotes unintentional oxygen incorporation. The calculation results also suggest that even when Mg + H complex defects exist in subsurface layers, they promote unintentional oxygen incorporation in a similar manner. The mechanism of unintentional oxygen incorporation enhanced by magnesium doping and complex defect structures is discussed in terms of charge neutrality or electron-counting model in the growth surface.
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