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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Detalles Bibliográficos
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
Descripción
Sumario: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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