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Register a new userTransition to collapsed tetragonal phase in CaFe2As2 single crystals as seen by 57Fe Mossbauer spectroscopy
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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.
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Recent investigations of the superconducting iron-arsenide families have highlighted the role of pressure, be it chemical or mechanical, in fostering superconductivity. Here we report that CaFe2As2 undergoes a pressure-induced transition to a non-magnetic, volume collapsed tetragonal phase, which becomes superconducting at lower temperature. Spin-polarized total-energy calculations on the collapsed structure reveal that the magnetic Fe moment itself collapses, consistent with the absence of magnetic order in neutron diffraction.
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.
Inelastic neutron scattering measurements of CaFe2As2 under applied hydrostatic pressure show that the antiferromagnetic spin fluctuations observed in the ambient pressure, paramagnetic, tetragonal (T) phase are strongly suppressed, if not absent, in the collapsed tetragonal (cT) phase. These results are consistent with a quenched Fe moment in the cT phase and the strong decrease in resistivity observed upon crossing the boundary from the T to cT phase. The suppression or absence of static antiferromagnetic order and dynamic spin fluctuations in the non-superconducting cT phase supports the notion of a coupling between spin fluctuations and superconductivity in the iron arsenides.
In the recent publication, Phys. Rev. B 102, 144420 (2020), Cabrera-Baez et al. present a study of the effects of Cd-substitution for Zn in the ferromagnetic compound GdFe2Zn20. As part of this paper, they claim that for GdFe2Zn18.6Cd1.4 the effective moment of Gd is reduced by 25% and the saturated moment of Gd is reduced by over 40%. We regrew representative members of the GdFe2Zn(20-x)Cdx series and did not find any such reductions. In addition, we measured several crystals from the growth batch that was used by Cabrera-Baez et al. and did not see such reductions. Although there is a modest increase in TC with Cd substitution, there is no significant change in the Gd effective moment or the saturated moment associated with the low temperature ferromagnetic state.
We present a 57Fe Mossbauer spectroscopy study of the two incommensurate magnetic phases in the multiferroic material FeVO4. We devise lineshapes appropriate for planar elliptical and collinear modulated magnetic structures and show that they reproduce very well the Mossbauer spectra in FeVO4, in full qualitative agreement with a previous neutron diffraction study. Quantitatively, our spectra provide precise determinations of the characteristics of the elliptical and modulated structures which are in good agreement with the neutron diffraction results. We find that the hyperfine field elliptical modulation persists as T goes to 0, which we attribute to an anisotropy of the hyperfine interaction since a moment modulation is forbidden at T=0 for a spin only ion like Fe3+.
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