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Band gap closure, incommensurability and molecular dissociation of dense chlorine
Diatomic elemental solids are highly compressible due to the weak interactions between molecules. However, as the density increases the intra- and intermolecular distances become comparable, leading to a range of phenomena, such as structural transformation, molecular dissociation, amorphization, an...
Autores principales: | , , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Nature Publishing Group UK
2019
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6408506/ https://www.ncbi.nlm.nih.gov/pubmed/30850606 http://dx.doi.org/10.1038/s41467-019-09108-x |
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author | Dalladay-Simpson, Philip Binns, Jack Peña-Alvarez, Miriam Donnelly, Mary-Ellen Greenberg, Eran Prakapenka, Vitali Chen, Xiao-Jia Gregoryanz, Eugene Howie, Ross T. |
author_facet | Dalladay-Simpson, Philip Binns, Jack Peña-Alvarez, Miriam Donnelly, Mary-Ellen Greenberg, Eran Prakapenka, Vitali Chen, Xiao-Jia Gregoryanz, Eugene Howie, Ross T. |
author_sort | Dalladay-Simpson, Philip |
collection | PubMed |
description | Diatomic elemental solids are highly compressible due to the weak interactions between molecules. However, as the density increases the intra- and intermolecular distances become comparable, leading to a range of phenomena, such as structural transformation, molecular dissociation, amorphization, and metallisation. Here we report, following the crystallization of chlorine at 1.15(30) GPa into an ordered orthorhombic structure (oC8), the existence of a mixed-molecular structure (mC8, 130(10)–241(10) GPa) and the concomitant observation of a continuous band gap closure, indicative of a transformation into a metallic molecular form around 200(10) GPa. The onset of dissociation of chlorine is identified by the observation of the incommensurate structure (i-oF4) above 200(10) GPa, before finally adopting a monatomic form (oI2) above 256(10) GPa. |
format | Online Article Text |
id | pubmed-6408506 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2019 |
publisher | Nature Publishing Group UK |
record_format | MEDLINE/PubMed |
spelling | pubmed-64085062019-03-11 Band gap closure, incommensurability and molecular dissociation of dense chlorine Dalladay-Simpson, Philip Binns, Jack Peña-Alvarez, Miriam Donnelly, Mary-Ellen Greenberg, Eran Prakapenka, Vitali Chen, Xiao-Jia Gregoryanz, Eugene Howie, Ross T. Nat Commun Article Diatomic elemental solids are highly compressible due to the weak interactions between molecules. However, as the density increases the intra- and intermolecular distances become comparable, leading to a range of phenomena, such as structural transformation, molecular dissociation, amorphization, and metallisation. Here we report, following the crystallization of chlorine at 1.15(30) GPa into an ordered orthorhombic structure (oC8), the existence of a mixed-molecular structure (mC8, 130(10)–241(10) GPa) and the concomitant observation of a continuous band gap closure, indicative of a transformation into a metallic molecular form around 200(10) GPa. The onset of dissociation of chlorine is identified by the observation of the incommensurate structure (i-oF4) above 200(10) GPa, before finally adopting a monatomic form (oI2) above 256(10) GPa. Nature Publishing Group UK 2019-03-08 /pmc/articles/PMC6408506/ /pubmed/30850606 http://dx.doi.org/10.1038/s41467-019-09108-x Text en © The Author(s) 2019 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 Dalladay-Simpson, Philip Binns, Jack Peña-Alvarez, Miriam Donnelly, Mary-Ellen Greenberg, Eran Prakapenka, Vitali Chen, Xiao-Jia Gregoryanz, Eugene Howie, Ross T. Band gap closure, incommensurability and molecular dissociation of dense chlorine |
title | Band gap closure, incommensurability and molecular dissociation of dense chlorine |
title_full | Band gap closure, incommensurability and molecular dissociation of dense chlorine |
title_fullStr | Band gap closure, incommensurability and molecular dissociation of dense chlorine |
title_full_unstemmed | Band gap closure, incommensurability and molecular dissociation of dense chlorine |
title_short | Band gap closure, incommensurability and molecular dissociation of dense chlorine |
title_sort | band gap closure, incommensurability and molecular dissociation of dense chlorine |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6408506/ https://www.ncbi.nlm.nih.gov/pubmed/30850606 http://dx.doi.org/10.1038/s41467-019-09108-x |
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