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Research on monolayer h-BN cell strain effect vacancy stability
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| Zeitschriftentitel: | Journal of Physics: Conference Series |
|---|---|
| Personen und Körperschaften: | , , |
| In: | Journal of Physics: Conference Series, 1353, 2019, 1, S. 012020 |
| Format: | E-Article |
| Sprache: | Unbestimmt |
| veröffentlicht: |
IOP Publishing
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| Schlagwörter: |
| author_facet |
Serzhantova, M V Titov, M A Obvertkin, I V Serzhantova, M V Titov, M A Obvertkin, I V |
|---|---|
| author |
Serzhantova, M V Titov, M A Obvertkin, I V |
| spellingShingle |
Serzhantova, M V Titov, M A Obvertkin, I V Journal of Physics: Conference Series Research on monolayer h-BN cell strain effect vacancy stability General Physics and Astronomy |
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serzhantova, m v |
| spelling |
Serzhantova, M V Titov, M A Obvertkin, I V 1742-6588 1742-6596 IOP Publishing General Physics and Astronomy http://dx.doi.org/10.1088/1742-6596/1353/1/012020 <jats:title>Abstract</jats:title> <jats:p>This article presents a research on Hexagonal Boron Nitride (h-BN) monolayer cell strain effect 2 % and 4 %. Structure of h-BN with nitrogen vacancy, with boron vacancy and with divacancy was considered for this. The calculations were carried out within framework of the density functional formalism with gradient corrections and using the VASP package. Vanderbilt Ultra-Soft Pseudopotential was used in the course of the calculations. It is possible to conclude that nitrogen vacancies are the most stable, regardless of monolayer deformation on the results obtained. Understanding of atomic scale stability and dynamics of defects in such systems is crucial for predicting their properties and applications in electronics.</jats:p> Research on monolayer h-BN cell strain effect vacancy stability Journal of Physics: Conference Series |
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Journal of Physics: Conference Series |
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Research on monolayer h-BN cell strain effect vacancy stability |
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Research on monolayer h-BN cell strain effect vacancy stability |
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Research on monolayer h-BN cell strain effect vacancy stability |
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Research on monolayer h-BN cell strain effect vacancy stability |
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Research on monolayer h-BN cell strain effect vacancy stability |
| title_short |
Research on monolayer h-BN cell strain effect vacancy stability |
| title_sort |
research on monolayer h-bn cell strain effect vacancy stability |
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General Physics and Astronomy |
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http://dx.doi.org/10.1088/1742-6596/1353/1/012020 |
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2019 |
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012020 |
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<jats:title>Abstract</jats:title>
<jats:p>This article presents a research on Hexagonal Boron Nitride (h-BN) monolayer cell strain effect 2 % and 4 %. Structure of h-BN with nitrogen vacancy, with boron vacancy and with divacancy was considered for this. The calculations were carried out within framework of the density functional formalism with gradient corrections and using the VASP package. Vanderbilt Ultra-Soft Pseudopotential was used in the course of the calculations. It is possible to conclude that nitrogen vacancies are the most stable, regardless of monolayer deformation on the results obtained. Understanding of atomic scale stability and dynamics of defects in such systems is crucial for predicting their properties and applications in electronics.</jats:p> |
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| author | Serzhantova, M V, Titov, M A, Obvertkin, I V |
| author_facet | Serzhantova, M V, Titov, M A, Obvertkin, I V, Serzhantova, M V, Titov, M A, Obvertkin, I V |
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| description | <jats:title>Abstract</jats:title> <jats:p>This article presents a research on Hexagonal Boron Nitride (h-BN) monolayer cell strain effect 2 % and 4 %. Structure of h-BN with nitrogen vacancy, with boron vacancy and with divacancy was considered for this. The calculations were carried out within framework of the density functional formalism with gradient corrections and using the VASP package. Vanderbilt Ultra-Soft Pseudopotential was used in the course of the calculations. It is possible to conclude that nitrogen vacancies are the most stable, regardless of monolayer deformation on the results obtained. Understanding of atomic scale stability and dynamics of defects in such systems is crucial for predicting their properties and applications in electronics.</jats:p> |
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| series | Journal of Physics: Conference Series |
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| spelling | Serzhantova, M V Titov, M A Obvertkin, I V 1742-6588 1742-6596 IOP Publishing General Physics and Astronomy http://dx.doi.org/10.1088/1742-6596/1353/1/012020 <jats:title>Abstract</jats:title> <jats:p>This article presents a research on Hexagonal Boron Nitride (h-BN) monolayer cell strain effect 2 % and 4 %. Structure of h-BN with nitrogen vacancy, with boron vacancy and with divacancy was considered for this. The calculations were carried out within framework of the density functional formalism with gradient corrections and using the VASP package. Vanderbilt Ultra-Soft Pseudopotential was used in the course of the calculations. It is possible to conclude that nitrogen vacancies are the most stable, regardless of monolayer deformation on the results obtained. Understanding of atomic scale stability and dynamics of defects in such systems is crucial for predicting their properties and applications in electronics.</jats:p> Research on monolayer h-BN cell strain effect vacancy stability Journal of Physics: Conference Series |
| spellingShingle | Serzhantova, M V, Titov, M A, Obvertkin, I V, Journal of Physics: Conference Series, Research on monolayer h-BN cell strain effect vacancy stability, General Physics and Astronomy |
| title | Research on monolayer h-BN cell strain effect vacancy stability |
| title_full | Research on monolayer h-BN cell strain effect vacancy stability |
| title_fullStr | Research on monolayer h-BN cell strain effect vacancy stability |
| title_full_unstemmed | Research on monolayer h-BN cell strain effect vacancy stability |
| title_short | Research on monolayer h-BN cell strain effect vacancy stability |
| title_sort | research on monolayer h-bn cell strain effect vacancy stability |
| title_unstemmed | Research on monolayer h-BN cell strain effect vacancy stability |
| topic | General Physics and Astronomy |
| url | http://dx.doi.org/10.1088/1742-6596/1353/1/012020 |