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Get Free AccessThis work investigates the $\ensuremath{\beta}$-Si${}_{3}$N${}_{4}$(0001)/Si(111) interface based on a model with fully saturated interface bonds. The charge transfer at the interface and band alignment are calculated. The band alignment is corrected by $G{W}_{0}$ calculations. Furthermore, we investigate how substitutional phosphorus defects affect the electronic structure of the interface, in particular how they saturate the interface states and modify the valence band offsets.
Espen Flage−Larsen, Ole Martin Løvvik, Changming Fang, Kresse Georg (2013). <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>β</mml:mi></mml:math>-Si<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mrow /><mml:mn>3</mml:mn></mml:msub></mml:math>N<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mrow /><mml:mn>4</mml:mn></mml:msub></mml:math>(0001)/Si(111) interface: Phosphorus defects, valence band offsets, and their role of passivating the interface states. Physical Review B, 88(16), DOI: 10.1103/physrevb.88.165310.
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Type
Article
Year
2013
Authors
4
Datasets
0
Total Files
0
Language
English
Journal
Physical Review B
DOI
10.1103/physrevb.88.165310
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