Effect of Strain on Interactions of Σ3{111} Silicon Grain Boundary with Oxygen Impurities from First Principles Article Swipe
Rita Maji
,
Julia Contreras‐García
,
Eleonora Luppi
,
Elena Degoli
·
YOU?
·
· 2021
· Open Access
·
· DOI: https://doi.org/10.1002/pssb.202100377
YOU?
·
· 2021
· Open Access
·
· DOI: https://doi.org/10.1002/pssb.202100377
The interaction of grain boundaries (GBs) with inherent defects and/or impurity elements in multicrystalline silicon plays a decisive role in their electrical behavior. Strain, depending on the types of GBs and defects, plays an important role in these systems. Herein, the correlation between the structural and electronic properties of Σ 3{111} Si‐GB in the presence of interstitial oxygen impurities is studied from the first‐principles framework, considering the global and local model of strain. It is observed that the distribution of strain along with the number of impurity atoms modifies the energetics of the material. However, the electronic properties of the considered Si‐GBs are not particularly affected by the strain and by the oxygen impurities, unless a very high local distortion induces additional structural defects.
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- Type
- article
- Language
- en
- Landing Page
- https://doi.org/10.1002/pssb.202100377
- https://onlinelibrary.wiley.com/doi/pdfdirect/10.1002/pssb.202100377
- OA Status
- hybrid
- Cited By
- 3
- References
- 27
- Related Works
- 10
- OpenAlex ID
- https://openalex.org/W4200351994
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https://openalex.org/W4200351994Canonical identifier for this work in OpenAlex
- DOI
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https://doi.org/10.1002/pssb.202100377Digital Object Identifier
- Title
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Effect of Strain on Interactions of Σ3{111} Silicon Grain Boundary with Oxygen Impurities from First PrinciplesWork title
- Type
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articleOpenAlex work type
- Language
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enPrimary language
- Publication year
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2021Year of publication
- Publication date
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2021-11-25Full publication date if available
- Authors
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Rita Maji, Julia Contreras‐García, Eleonora Luppi, Elena DegoliList of authors in order
- Landing page
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https://doi.org/10.1002/pssb.202100377Publisher landing page
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https://onlinelibrary.wiley.com/doi/pdfdirect/10.1002/pssb.202100377Direct link to full text PDF
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YesWhether a free full text is available
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hybridOpen access status per OpenAlex
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https://onlinelibrary.wiley.com/doi/pdfdirect/10.1002/pssb.202100377Direct OA link when available
- Concepts
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Impurity, Grain boundary, Silicon, Materials science, Strain (injury), Oxygen, Chemical physics, Crystallography, Condensed matter physics, Crystallographic defect, Electronic structure, Chemistry, Metallurgy, Microstructure, Physics, Medicine, Organic chemistry, Internal medicineTop concepts (fields/topics) attached by OpenAlex
- Cited by
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3Total citation count in OpenAlex
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2022: 3Per-year citation counts (last 5 years)
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10Other works algorithmically related by OpenAlex
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