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Geometry-dependent band shift and dielectric modification of nanoporous Si nanowires

In order to obtain a detailed understanding of the modulation of electronic properties in nanoporous Si (np-Si) nanowires with containing ordered, nanometer-sized cylindrical pores, we propose a theoretical method to clarify the band shift and associated with the dielectric modification determined b...

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Autores principales: Yu, W. B., Ouyang, G.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5663955/
https://www.ncbi.nlm.nih.gov/pubmed/29089540
http://dx.doi.org/10.1038/s41598-017-14647-8
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author Yu, W. B.
Ouyang, G.
author_facet Yu, W. B.
Ouyang, G.
author_sort Yu, W. B.
collection PubMed
description In order to obtain a detailed understanding of the modulation of electronic properties in nanoporous Si (np-Si) nanowires with containing ordered, nanometer-sized cylindrical pores, we propose a theoretical method to clarify the band shift and associated with the dielectric modification determined by the geometrical parameters, including nanowire diameter, pore size, pore spacing and porosity, in terms of size-dependent surface energy and atomic-bond-relaxation correlation mechanism. Our results reveal that the self-equilibrium strain induced by the atoms located at inner and outer surfaces with high ratio of under-coordinated atoms as well as elastic interaction among pores in np-Si nanowires play the dominant role in the bandgap shift and dielectric depression. The tunable electronic properties of np-Si nanowires with negative curvature make them attractive for nanoelectronic and optoelectronic devices.
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spelling pubmed-56639552017-11-08 Geometry-dependent band shift and dielectric modification of nanoporous Si nanowires Yu, W. B. Ouyang, G. Sci Rep Article In order to obtain a detailed understanding of the modulation of electronic properties in nanoporous Si (np-Si) nanowires with containing ordered, nanometer-sized cylindrical pores, we propose a theoretical method to clarify the band shift and associated with the dielectric modification determined by the geometrical parameters, including nanowire diameter, pore size, pore spacing and porosity, in terms of size-dependent surface energy and atomic-bond-relaxation correlation mechanism. Our results reveal that the self-equilibrium strain induced by the atoms located at inner and outer surfaces with high ratio of under-coordinated atoms as well as elastic interaction among pores in np-Si nanowires play the dominant role in the bandgap shift and dielectric depression. The tunable electronic properties of np-Si nanowires with negative curvature make them attractive for nanoelectronic and optoelectronic devices. Nature Publishing Group UK 2017-10-31 /pmc/articles/PMC5663955/ /pubmed/29089540 http://dx.doi.org/10.1038/s41598-017-14647-8 Text en © The Author(s) 2017 Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.
spellingShingle Article
Yu, W. B.
Ouyang, G.
Geometry-dependent band shift and dielectric modification of nanoporous Si nanowires
title Geometry-dependent band shift and dielectric modification of nanoporous Si nanowires
title_full Geometry-dependent band shift and dielectric modification of nanoporous Si nanowires
title_fullStr Geometry-dependent band shift and dielectric modification of nanoporous Si nanowires
title_full_unstemmed Geometry-dependent band shift and dielectric modification of nanoporous Si nanowires
title_short Geometry-dependent band shift and dielectric modification of nanoporous Si nanowires
title_sort geometry-dependent band shift and dielectric modification of nanoporous si nanowires
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5663955/
https://www.ncbi.nlm.nih.gov/pubmed/29089540
http://dx.doi.org/10.1038/s41598-017-14647-8
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