Formation of As-As Interlayer Bonding in the collapsed tetragonal phase of NaFe(2)As(2) under pressure

NaFe(2)As(2) is investigated experimentally using powder x-ray diffraction and Raman spectroscopy at pressures up to 23 GPa at room temperature and using ab-initio calculations. The results reveal a pressure-induced structural modification at 4 GPa from the starting tetragonal to a collapsed tetrago...

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Autores principales: Stavrou, Elissaios, Chen, Xiao-Jia, Oganov, Artem R., Wang, A. F., Yan, Y. J., Luo, X. G., Chen, X. H., Goncharov, Alexander F.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2015
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4445184/
https://www.ncbi.nlm.nih.gov/pubmed/26014105
http://dx.doi.org/10.1038/srep09868
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author Stavrou, Elissaios
Chen, Xiao-Jia
Oganov, Artem R.
Wang, A. F.
Yan, Y. J.
Luo, X. G.
Chen, X. H.
Goncharov, Alexander F.
author_facet Stavrou, Elissaios
Chen, Xiao-Jia
Oganov, Artem R.
Wang, A. F.
Yan, Y. J.
Luo, X. G.
Chen, X. H.
Goncharov, Alexander F.
author_sort Stavrou, Elissaios
collection PubMed
description NaFe(2)As(2) is investigated experimentally using powder x-ray diffraction and Raman spectroscopy at pressures up to 23 GPa at room temperature and using ab-initio calculations. The results reveal a pressure-induced structural modification at 4 GPa from the starting tetragonal to a collapsed tetragonal phase. We determined the changes in interatomic distances under pressure that allowed us to connect the structural changes and superconductivity. The transition is related to the formation of interlayer As-As bonds at the expense of weakening of Fe-As bonds in agreement with recent theoretical predictions.
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spelling pubmed-44451842015-06-01 Formation of As-As Interlayer Bonding in the collapsed tetragonal phase of NaFe(2)As(2) under pressure Stavrou, Elissaios Chen, Xiao-Jia Oganov, Artem R. Wang, A. F. Yan, Y. J. Luo, X. G. Chen, X. H. Goncharov, Alexander F. Sci Rep Article NaFe(2)As(2) is investigated experimentally using powder x-ray diffraction and Raman spectroscopy at pressures up to 23 GPa at room temperature and using ab-initio calculations. The results reveal a pressure-induced structural modification at 4 GPa from the starting tetragonal to a collapsed tetragonal phase. We determined the changes in interatomic distances under pressure that allowed us to connect the structural changes and superconductivity. The transition is related to the formation of interlayer As-As bonds at the expense of weakening of Fe-As bonds in agreement with recent theoretical predictions. Nature Publishing Group 2015-05-27 /pmc/articles/PMC4445184/ /pubmed/26014105 http://dx.doi.org/10.1038/srep09868 Text en Copyright © 2015, Macmillan Publishers Limited. All rights reserved http://creativecommons.org/licenses/by/4.0/ This work is licensed under a Creative Commons Attribution 4.0 International License. The images or other third party material in this article are included in the article's Creative Commons license, unless indicated otherwise in the credit line; if the material is not included under the Creative Commons license, users will need to obtain permission from the license holder in order to reproduce the material. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/
spellingShingle Article
Stavrou, Elissaios
Chen, Xiao-Jia
Oganov, Artem R.
Wang, A. F.
Yan, Y. J.
Luo, X. G.
Chen, X. H.
Goncharov, Alexander F.
Formation of As-As Interlayer Bonding in the collapsed tetragonal phase of NaFe(2)As(2) under pressure
title Formation of As-As Interlayer Bonding in the collapsed tetragonal phase of NaFe(2)As(2) under pressure
title_full Formation of As-As Interlayer Bonding in the collapsed tetragonal phase of NaFe(2)As(2) under pressure
title_fullStr Formation of As-As Interlayer Bonding in the collapsed tetragonal phase of NaFe(2)As(2) under pressure
title_full_unstemmed Formation of As-As Interlayer Bonding in the collapsed tetragonal phase of NaFe(2)As(2) under pressure
title_short Formation of As-As Interlayer Bonding in the collapsed tetragonal phase of NaFe(2)As(2) under pressure
title_sort formation of as-as interlayer bonding in the collapsed tetragonal phase of nafe(2)as(2) under pressure
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4445184/
https://www.ncbi.nlm.nih.gov/pubmed/26014105
http://dx.doi.org/10.1038/srep09868
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