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.
Highlights
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
All previous studies suggested that the transformation from the T to the collapsed tetragonal (CT) phase is a universal characteristic of divalent AFe2As2 compounds[10], a detailed structural study on the atomic level and the link between structural modifications and superconductivity under pressure is still missing
Summary
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. In the case of 122 FeSCs, pressure-induced suppression of antiferromagnetic spin fluctuations was proposed to account for the disappearance of superconductivity in a so-called collapsed tetragonal (CT) phase[5]. All previous studies suggested that the transformation from the T to the CT phase is a universal characteristic of divalent AFe2As2 compounds[10], a detailed structural study on the atomic level and the link between structural modifications and superconductivity under pressure is still missing. In this paper we present a combined experimental, using x-ray diffraction (XRD) and Raman spectroscopy, and theoretical study of NaFe2As2 under pressure. We examine the structural behavior of AFe2As2 superconductors under pressure in the case of A being an alkali metal to obtain a deeper insight on the interplay between structure and superconductivity under pressure. According to theoretical predictions[11,12] this is the key parameter determining the correlation between structure and superconductivity for 122 SC
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