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Distinct signature of local tetrahedral ordering in the scattering function of covalent liquids and glasses

Tetrahedral amorphous materials such as SiO(2), GeO(2), Si, Ge, C, and chalcogenides are extremely important in nature and technology. It is known that covalent bonding favors local tetrahedral order in these materials. However, how to extract information on this structural order from the scattering...

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Detalles Bibliográficos
Autores principales: Shi, Rui, Tanaka, Hajime
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Association for the Advancement of Science 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6397023/
https://www.ncbi.nlm.nih.gov/pubmed/30838331
http://dx.doi.org/10.1126/sciadv.aav3194
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author Shi, Rui
Tanaka, Hajime
author_facet Shi, Rui
Tanaka, Hajime
author_sort Shi, Rui
collection PubMed
description Tetrahedral amorphous materials such as SiO(2), GeO(2), Si, Ge, C, and chalcogenides are extremely important in nature and technology. It is known that covalent bonding favors local tetrahedral order in these materials. However, how to extract information on this structural order from the scattering function has remained elusive. By analyzing the structure of simulated SiO(2) and experimental data of various tetrahedral materials, we show that the lowest wave number peak, known as the first sharp diffraction peak (FSDP), and a few higher wave number ones in the scattering functions come from the characteristic density waves of a single tetrahedral unit. FSDP is thus a direct measure of the tetrahedrality. This finding opens the door for long-awaited experimental access to the characterization of disordered amorphous structures.
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spelling pubmed-63970232019-03-05 Distinct signature of local tetrahedral ordering in the scattering function of covalent liquids and glasses Shi, Rui Tanaka, Hajime Sci Adv Research Articles Tetrahedral amorphous materials such as SiO(2), GeO(2), Si, Ge, C, and chalcogenides are extremely important in nature and technology. It is known that covalent bonding favors local tetrahedral order in these materials. However, how to extract information on this structural order from the scattering function has remained elusive. By analyzing the structure of simulated SiO(2) and experimental data of various tetrahedral materials, we show that the lowest wave number peak, known as the first sharp diffraction peak (FSDP), and a few higher wave number ones in the scattering functions come from the characteristic density waves of a single tetrahedral unit. FSDP is thus a direct measure of the tetrahedrality. This finding opens the door for long-awaited experimental access to the characterization of disordered amorphous structures. American Association for the Advancement of Science 2019-03-01 /pmc/articles/PMC6397023/ /pubmed/30838331 http://dx.doi.org/10.1126/sciadv.aav3194 Text en Copyright © 2019 The Authors, some rights reserved; exclusive licensee American Association for the Advancement of Science. No claim to original U.S. Government Works. Distributed under a Creative Commons Attribution NonCommercial License 4.0 (CC BY-NC). http://creativecommons.org/licenses/by-nc/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution-NonCommercial license (http://creativecommons.org/licenses/by-nc/4.0/) , which permits use, distribution, and reproduction in any medium, so long as the resultant use is not for commercial advantage and provided the original work is properly cited.
spellingShingle Research Articles
Shi, Rui
Tanaka, Hajime
Distinct signature of local tetrahedral ordering in the scattering function of covalent liquids and glasses
title Distinct signature of local tetrahedral ordering in the scattering function of covalent liquids and glasses
title_full Distinct signature of local tetrahedral ordering in the scattering function of covalent liquids and glasses
title_fullStr Distinct signature of local tetrahedral ordering in the scattering function of covalent liquids and glasses
title_full_unstemmed Distinct signature of local tetrahedral ordering in the scattering function of covalent liquids and glasses
title_short Distinct signature of local tetrahedral ordering in the scattering function of covalent liquids and glasses
title_sort distinct signature of local tetrahedral ordering in the scattering function of covalent liquids and glasses
topic Research Articles
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6397023/
https://www.ncbi.nlm.nih.gov/pubmed/30838331
http://dx.doi.org/10.1126/sciadv.aav3194
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