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Change of the charge modulation during superconducting transition in SmFeAsO(0.91)F(0.09) seen by 57Fe Mossbauer spectroscopy

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 Publication date 2015
  fields Physics
and research's language is English




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Iron-based superconductor SmFeAsO(0.91)F(0.09) has been investigated by the 57Fe Moessbauer spectroscopy versus temperature with the special attention paid to the region of the superconducting transition at about 47 K. Modulation of the electron charge density was found. It leads to the development of the charge density wave (CDW) and electric field gradient wave (EFGW). The modulation of CDW is enhanced in the temperature region of the superconducting gap opening, while the amplitude of EFGW is partly suppressed within this temperature region. This effect is exactly opposite to the similar effect in Ba(0.6)K(0.4)Fe2As2 superconductor. Hence, it seems that d electrons contribute significantly to the Cooper pair formation in both compounds as EFGW is perturbed within the temperature region of the superconducting gap formation.



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Temperature dependent measurements of 57Fe Mossbauer spectra on CaFe2As2 single crystals in the tetragonal and collapsed tetragonal phases are reported. Clear features in the temperature dependencies of the isomer shift, relative spectra area and quadrupole splitting are observed at the transition from the tetragonal to the collapsed tetragonal phase. From the temperature dependent isomer shift and spectral area data, an average stiffening of the phonon modes in the collapsed tetragonal phase is inferred. The quadrupole splitting increases by ~25% on cooling from room temperature to ~100 K in the tetragonal phase and is only weakly temperature dependent at low temperatures in the collapsed tetragonal phase, in agreement with the anisotropic thermal expansion in this material. In order to gain microscopic insight about these measurements we perform ab initio density functional theory calculations of the electric field gradient and the electron density of CaFe2As2 in both phases. By comparing the experimental data with the calculations we are able to fully characterize the crystal structure of the samples in the collapsed-tetragonal phase through determination of the As z-coordinate. Based on the obtained temperature dependent structural data we are able to propose charge saturation of the Fe - As bond region as the mechanism behind the stabilization of the collapsed-tetragonal phase at ambient pressure.
We report on the magnetic behavior of oxygen deficient LaFeAsO1-x (x-0.10) compound, prepared by one-step synthesis, which crystallizes in the tetragonal (S.G. P4/nmm) structure at room temperature. Resistivity measurements show a strong anomaly near 150 K, which is ascribed to the spin density wave (SDW) instability. On the other hand, dc magnetization data shows paramagnetic-like features down to 5 K, with an effective moment of 0.83 mB/Fe. 57Fe Mossbauer studies (MS) have been performed at 95 and 200 K. The spectra at both temperatures are composed of two sub-spectra. At 200 K the major one (88%), is almost a singlet, and corresponds to those Fe nuclei, which have two oxygen ions in their close vicinity. The minor one, with a large quadrupole splitting, corresponds to Fe nuclei, which have vacancies in their immediate neighborhood. The spectrum at 95 K, exhibits a broadened magnetic split major (84%) sub-spectrum and a very small magnetic splitting in the minor subspectrum. The relative intensities of the subspectra facilitate in estimating the actual amount of oxygen vacancies in the compound to be 7.0(5)%, instead of the nominal LaFeAsO0.90. These results, when compared with reported 57Fe MS of non-superconducting LaFeAsO and superconducting LaFeAsO0.9F0.1, confirm that the studied LaFeAsO0.93 is a superconductivity-magnetism crossover compound of the newly discovered Fe based superconducting family.
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