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Structural studies of local environments in high-symmetry quasicrystals

The statistics of how the local environment of a particle looks like, e.g., given by the distribution of nearest neighbor distances or the sizes of Voronoi cells, is important as a starting point for the calculation of many material properties like electronic or photonic band structures. Here we stu...

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Autores principales: Sosa, Alan Rodrigo Mendoza, Kraemer, Atahualpa S., Oğuz, Erdal C., Schmiedeberg, Michael
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10550988/
https://www.ncbi.nlm.nih.gov/pubmed/37794114
http://dx.doi.org/10.1038/s41598-023-42145-7
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author Sosa, Alan Rodrigo Mendoza
Kraemer, Atahualpa S.
Oğuz, Erdal C.
Schmiedeberg, Michael
author_facet Sosa, Alan Rodrigo Mendoza
Kraemer, Atahualpa S.
Oğuz, Erdal C.
Schmiedeberg, Michael
author_sort Sosa, Alan Rodrigo Mendoza
collection PubMed
description The statistics of how the local environment of a particle looks like, e.g., given by the distribution of nearest neighbor distances or the sizes of Voronoi cells, is important as a starting point for the calculation of many material properties like electronic or photonic band structures. Here we study local environments that occur in quasicrystals with large rotational symmetry. Both with analytical considerations based on geometric arguments and with an analysis of a large number of numerically created patches of high-symmetry quasicrystals we find that the Voronoi area’s distribution reaches a bimodal curve and that in the limit of large rotational symmetries the distribution of nearest neighbor distance converges against a universal curve, where [Formula: see text] of the vertices have their nearest neighbor at a normalized distance equal to 1, while for the other [Formula: see text] the nearest neighbor is at a distance less than 1. Therefore, the statistics of local environments is non-trivial but independent of the specific rotational symmetry. Thus properties that only depend on local environments are expected to be universal for all high-symmetry quasicrystals.
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spelling pubmed-105509882023-10-06 Structural studies of local environments in high-symmetry quasicrystals Sosa, Alan Rodrigo Mendoza Kraemer, Atahualpa S. Oğuz, Erdal C. Schmiedeberg, Michael Sci Rep Article The statistics of how the local environment of a particle looks like, e.g., given by the distribution of nearest neighbor distances or the sizes of Voronoi cells, is important as a starting point for the calculation of many material properties like electronic or photonic band structures. Here we study local environments that occur in quasicrystals with large rotational symmetry. Both with analytical considerations based on geometric arguments and with an analysis of a large number of numerically created patches of high-symmetry quasicrystals we find that the Voronoi area’s distribution reaches a bimodal curve and that in the limit of large rotational symmetries the distribution of nearest neighbor distance converges against a universal curve, where [Formula: see text] of the vertices have their nearest neighbor at a normalized distance equal to 1, while for the other [Formula: see text] the nearest neighbor is at a distance less than 1. Therefore, the statistics of local environments is non-trivial but independent of the specific rotational symmetry. Thus properties that only depend on local environments are expected to be universal for all high-symmetry quasicrystals. Nature Publishing Group UK 2023-10-04 /pmc/articles/PMC10550988/ /pubmed/37794114 http://dx.doi.org/10.1038/s41598-023-42145-7 Text en © The Author(s) 2023 https://creativecommons.org/licenses/by/4.0/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 licence, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons licence 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 licence, visit http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) .
spellingShingle Article
Sosa, Alan Rodrigo Mendoza
Kraemer, Atahualpa S.
Oğuz, Erdal C.
Schmiedeberg, Michael
Structural studies of local environments in high-symmetry quasicrystals
title Structural studies of local environments in high-symmetry quasicrystals
title_full Structural studies of local environments in high-symmetry quasicrystals
title_fullStr Structural studies of local environments in high-symmetry quasicrystals
title_full_unstemmed Structural studies of local environments in high-symmetry quasicrystals
title_short Structural studies of local environments in high-symmetry quasicrystals
title_sort structural studies of local environments in high-symmetry quasicrystals
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10550988/
https://www.ncbi.nlm.nih.gov/pubmed/37794114
http://dx.doi.org/10.1038/s41598-023-42145-7
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