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- Title
Formation of As-As Interlayer Bonding in the collapsed tetragonal phase of NaFe<sub>2</sub>As<sub>2</sub> under pressure.
- Authors
Stavrou, Elissaios; Chen, Xiao-Jia; Oganov, Artem R.; Wang, A. F.; Yan, Y. J.; Luo, X. G.; Chen, X. H.; Goncharov, Alexander F.
- Abstract
NaFe2As2 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.
- Subjects
X-ray diffraction; RAMAN spectroscopy; INTERATOMIC angles; SUPERCONDUCTIVITY; THERMODYNAMIC state variables
- Publication
Scientific Reports, 2015, p9868
- ISSN
2045-2322
- Publication type
Article
- DOI
10.1038/srep09868