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Critical Evaluation of Various Spontaneous Polarization Models and Induced Electric Fields in III-Nitride Multi-Quantum Wells
In this paper, ab initio calculations are used to determine polarization difference in zinc blende (ZB), hexagonal (H) and wurtzite (WZ) AlN-GaN and GaN-InN superlattices. It is shown that a polarization difference exists between WZ nitride compounds, while for H and ZB lattices the results are cons...
Autores principales: | , , , , , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2021
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8433669/ https://www.ncbi.nlm.nih.gov/pubmed/34501025 http://dx.doi.org/10.3390/ma14174935 |
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author | Ahmad, Ashfaq Strak, Pawel Koronski, Kamil Kempisty, Pawel Sakowski, Konrad Piechota, Jacek Grzegory, Izabella Wierzbicka, Aleksandra Kryvyi, Serhii Monroy, Eva Kaminska, Agata Krukowski, Stanislaw |
author_facet | Ahmad, Ashfaq Strak, Pawel Koronski, Kamil Kempisty, Pawel Sakowski, Konrad Piechota, Jacek Grzegory, Izabella Wierzbicka, Aleksandra Kryvyi, Serhii Monroy, Eva Kaminska, Agata Krukowski, Stanislaw |
author_sort | Ahmad, Ashfaq |
collection | PubMed |
description | In this paper, ab initio calculations are used to determine polarization difference in zinc blende (ZB), hexagonal (H) and wurtzite (WZ) AlN-GaN and GaN-InN superlattices. It is shown that a polarization difference exists between WZ nitride compounds, while for H and ZB lattices the results are consistent with zero polarization difference. It is therefore proven that the difference in Berry phase spontaneous polarization for bulk nitrides (AlN, GaN and InN) obtained by Bernardini et al. and Dreyer et al. was not caused by the different reference phase. These models provided absolute values of the polarization that differed by more than one order of magnitude for the same material, but they provided similar polarization differences between binary compounds, which agree also with our ab initio calculations. In multi-quantum wells (MQWs), the electric fields are generated by the well-barrier polarization difference; hence, the calculated electric fields are similar for the three models, both for GaN/AlN and InN/GaN structures. Including piezoelectric effect, which can account for 50% of the total polarization difference, these theoretical data are in satisfactory agreement with photoluminescence measurements in GaN/AlN MQWs. Therefore, the three models considered above are equivalent in the treatment of III-nitride MQWs and can be equally used for the description of the electric properties of active layers in nitride-based optoelectronic devices. |
format | Online Article Text |
id | pubmed-8433669 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2021 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
spelling | pubmed-84336692021-09-12 Critical Evaluation of Various Spontaneous Polarization Models and Induced Electric Fields in III-Nitride Multi-Quantum Wells Ahmad, Ashfaq Strak, Pawel Koronski, Kamil Kempisty, Pawel Sakowski, Konrad Piechota, Jacek Grzegory, Izabella Wierzbicka, Aleksandra Kryvyi, Serhii Monroy, Eva Kaminska, Agata Krukowski, Stanislaw Materials (Basel) Article In this paper, ab initio calculations are used to determine polarization difference in zinc blende (ZB), hexagonal (H) and wurtzite (WZ) AlN-GaN and GaN-InN superlattices. It is shown that a polarization difference exists between WZ nitride compounds, while for H and ZB lattices the results are consistent with zero polarization difference. It is therefore proven that the difference in Berry phase spontaneous polarization for bulk nitrides (AlN, GaN and InN) obtained by Bernardini et al. and Dreyer et al. was not caused by the different reference phase. These models provided absolute values of the polarization that differed by more than one order of magnitude for the same material, but they provided similar polarization differences between binary compounds, which agree also with our ab initio calculations. In multi-quantum wells (MQWs), the electric fields are generated by the well-barrier polarization difference; hence, the calculated electric fields are similar for the three models, both for GaN/AlN and InN/GaN structures. Including piezoelectric effect, which can account for 50% of the total polarization difference, these theoretical data are in satisfactory agreement with photoluminescence measurements in GaN/AlN MQWs. Therefore, the three models considered above are equivalent in the treatment of III-nitride MQWs and can be equally used for the description of the electric properties of active layers in nitride-based optoelectronic devices. MDPI 2021-08-30 /pmc/articles/PMC8433669/ /pubmed/34501025 http://dx.doi.org/10.3390/ma14174935 Text en © 2021 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Article Ahmad, Ashfaq Strak, Pawel Koronski, Kamil Kempisty, Pawel Sakowski, Konrad Piechota, Jacek Grzegory, Izabella Wierzbicka, Aleksandra Kryvyi, Serhii Monroy, Eva Kaminska, Agata Krukowski, Stanislaw Critical Evaluation of Various Spontaneous Polarization Models and Induced Electric Fields in III-Nitride Multi-Quantum Wells |
title | Critical Evaluation of Various Spontaneous Polarization Models and Induced Electric Fields in III-Nitride Multi-Quantum Wells |
title_full | Critical Evaluation of Various Spontaneous Polarization Models and Induced Electric Fields in III-Nitride Multi-Quantum Wells |
title_fullStr | Critical Evaluation of Various Spontaneous Polarization Models and Induced Electric Fields in III-Nitride Multi-Quantum Wells |
title_full_unstemmed | Critical Evaluation of Various Spontaneous Polarization Models and Induced Electric Fields in III-Nitride Multi-Quantum Wells |
title_short | Critical Evaluation of Various Spontaneous Polarization Models and Induced Electric Fields in III-Nitride Multi-Quantum Wells |
title_sort | critical evaluation of various spontaneous polarization models and induced electric fields in iii-nitride multi-quantum wells |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8433669/ https://www.ncbi.nlm.nih.gov/pubmed/34501025 http://dx.doi.org/10.3390/ma14174935 |
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