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K. Komedera

Publications and source records attributed to K. Komedera.

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57Fe and 151Eu Mössbauer studies of 3d-4f spin interplay in EuFe(2-x)Ni(x)As2

The EuFe(2-x)Ni(x)As2 compounds exhibiting 3d and/or 4f magnetic order were investigated by means of 57Fe and 151Eu Mössbauer spectroscopy. Additionally, results for the end members of this system, i.e. EuFe2As2 and EuNi2As2, are reported for comparison. It was found that spin-density-wave order of the Fe itinerant moments is monotonically suppressed by Ni-substitution. However, the 3d magnetic order survives at the lowest temperature up to at least x = 0.12 and it is certainly completely suppressed for x = 0.20. The Eu localized moments order regardless of the Ni concentration, but undergo a spin reorientation with increasing x from the alignment parallel to the a-axis in the parent compound, toward c-axis alignment for x > 0.07. The change of the 4f spins ordering from antiferromagnetic to ferromagnetic takes place simultaneously with a disappearance of the 3d spins order what is the evidence of a strong coupling between magnetism of Eu2+ ions and the conduction electrons of [Fe(2-x)Ni(x)As2]2- layers. The Fe nuclei experience the transferred hyperfine magnetic field due to the Eu2+ ordering for Ni-substituted samples with x > 0.04, while the transferred field is undetectable in EuFe2As2 and for compound with a low Ni-substitution level. It seems that the 4f ferromagnetic component arising from a tilt of the Eu2+ moments to the crystallographic c-axis leads to the transferred magnetic field at the Fe atoms.

cond-mat.supr-con

Mössbauer studies of spin- and charge-modulations in BaFe2(As1-xPx)2

The BaFe2(As1-xPx)2 compounds with x = 0 (parent), x = 0.10 (under-doped), x = 0.31, 0.33, 0.53 (superconductors with Tc = 27.3 K, 27.6 K, 13.9 K, respectively) and x = 0.70, 0.77 (over-doped) have been investigated versus temperature using 57Fe Mössbauer spectroscopy. Special attention was paid to regions of the spin-density-wave (SDW) antiferromagnetic order, spin-nematic phase, and superconducting transition. The BaFe2(As0.90P0.10)2 compound exhibits a reduced amplitude of SDW as compared to the parent compound and preserved universality class of two-dimensional magnetic planes with one-dimensional spins. The spin-nematic phase region for x = 0.10 is characterized by an incoherent magnetic order. BaFe2(As0.69P0.31)2 shows coexistence of a weak magnetic order and superconductivity due to the vicinity of the quantum critical point. The charge density modulations in the BaFe2(As0.67P0.33)2 and BaFe2(As0.47P0.53)2 superconductors are perturbed near Tc. Pronounced hump of the average quadrupole splitting across superconducting transition is observed for the system with x = 0.33. The phosphorus substitution increases the Debye temperature of the BaFe2(As1-xPx)2 compound. Moreover, experimental electron charge densities at Fe nuclei in this material conclusively show that it should be recognized as a hole-doped system. The measured Mössbauer spectral shift and spectral area are not affected by transition to the superconducting state. This indicates that neither the average electron density at Fe nuclei nor the dynamical properties of the Fe-sublattice in BaFe2(As1-xPx)2 are sensitive to the superconducting transition. Theoretical calculations of hyperfine parameters determining the patterns of Mössbauer spectra of BaFe2(As1-xPx)2 with x = 0, 0.31, 0.5, and 1.0 are performed within the framework of the density functional theory.

cond-mat.supr-con

Mössbauer study of Eu0.57Ca0.43Fe2As2 and Eu0.73Ca0.27(Fe0.87Co0.13)2As2: A comparison to 122 iron-based superconductors parent compounds EuFe2As2 and CaFe2As2

57Fe and 151Eu Moessbauer spectra were obtained versus temperature for Eu0.57Ca0.43Fe2As2 compound with 3d and 4f magnetic order and Eu0.73Ca0.27(Fe0.87Co0.13)2As2 re-entrant superconductor, where the finite resistivity reappears while approaching the ground state. They were compared with previously obtained spectra for parent compounds EuFe2As2 and CaFe2As2. It was found that substitution beyond the Fe-As layers does not lead to the rotation (canting) of the Eu2+ magnetic moments and does not generate Eu3+ states. On the other hand, re-entrant superconductor exhibits rotation (canting) of the Eu2+ moments on the c-axis of the unit cell leading to the transferred hyperfine magnetic field on iron nuclei. Divalent europium orders magnetically within the bulk of the re-entrant superconducting phase. The re-entrant superconductor remains in the inhomogeneous state close to the ground state with about 27 % of the volume being free of 3d magnetism, while the remainder exhibits weak spin density wave. Those two regions slightly differ by the electric field gradient and electron density on iron nuclei.

cond-mat.supr-con

Magnetism of PrFeAsO parent compound for iron-based superconductors: Mössbauer spectroscopy study

Moessbauer spectroscopy measurements were performed for the temperature range between 4.2 K and 300 K in a transmission geometry applying 14.41-keV resonant line in 57Fe for PrFeAsO the latter being a parent compound of the iron-based superconductors belonging to the '1111' family. It was found that an itinerant 3d magnetic order develops at about 165 K and it is accompanied by an orthorhombic distortion of the chemical unit cell. A complete longitudinal 3d incommensurate spin density wave (SDW) order develops at about 140 K. Transferred hyperfine magnetic field generated by the praseodymium magnetic order on iron nuclei is seen at 12.8 K and below, i.e., below magnetic order of praseodymium magnetic moments. It is oriented perpendicular to the field of SDW on iron nuclei. The shape of SDW is almost rectangular at low temperatures and it transforms into roughly triangular form around 'nematic' transition at about 140 K. Praseodymium magnetic order leads to the substantial enhancement of SDW due to the large orbital contribution to the magnetic moment of praseodymium. A transferred field indicates presence of strong magnetic susceptibility anisotropy in the [b-c] plane while following rotation of praseodymium magnetic moments in this plane with lowering temperature. It was found that 'nematic' phase region is a region of incoherent spin density wavelets typical for a critical region.

cond-mat.str-el

Orientation of the electric field gradient and ellipticity of the magnetic cycloid in multiferroic BiFeO3

The paper deals with the hyperfine interactions observed on the 57Fe nucleus in multiferroic BiFeO3 by means of the 14.41-keV resonant transition in 57Fe, and for transmission geometry applied to the random powder sample. Spectra were obtained at 80 K, 190 K and at room temperature. It was found that iron occurs in the high spin trivalent state. Hyperfine magnetic field follows distribution due to the elliptic-like distortion of the magnetic cycloid. The long axis of the ellipse is oriented along <111> direction of the rhombohedral unit cell. The hyperfine magnetic field in this direction is about 1.013 of the field in the perpendicular direction at room temperature. This ratio diminishes to 1.010 at 80 K. Axially symmetric electric field gradient (EFG) on the iron atoms has the principal axis oriented in the same direction and the main component of the EFG is positive. Our results are consistent with the finding that iron magnetic moments are confined to the [1-21] crystal plane.

cond-mat.mtrl-sci

Electric quadrupole interaction in cubic BCC alpha-Fe

Moessbauer transmission spectra for the 14.41-keV resonant line in 57Fe have been collected at room temperature by using 57Co(Rh) commercial source and alpha-Fe strain-free single crystal as an absorber. The absorber was magnetized to saturation in the absorber plane perpendicular to the gamma-ray beam axis applying small external magnetic field. Spectra were collected for various orientations of the magnetizing field, the latter lying close to the [110] crystal plane. A positive electric quadrupole coupling constant was found practically independent on the field orientation. One obtains the following value Vzz=+1.61(4)x10^19 V/m^2 for the (average) principal component of the electric field gradient (EFG) tensor under assumption that the EFG tensor is axially symmetric and the principal axis is aligned with the magnetic hyperfine field acting on the 57Fe nucleus. The nuclear spectroscopic electric quadrupole moment for the first excited state of the 57Fe nucleus was adopted as +0.17 b. Similar measurement was performed at room temperature using as-rolled polycrystalline alpha-Fe foil of high purity in the zero external field. Corresponding value for the principal component of the EFG was found as Vzz=+1.92(4)x10^19 V/m^2. Hence, it seems that the origin of the EFG is primarily due to the local (atomic) electronic wave function distortion caused by the spin-orbit interaction between effective electronic spin S and incompletely quenched electronic angular momentum L. It seems as well that the lowest order term proportional to the product L.LAMBDA.S dominates, as no direction dependence of the EFG principal component is seen. The lowest order term is isotropic for a cubic symmetry as one has LAMBDA=lambda.1 for cubic systems with the symbol 1 denoting unit operator and lambda being the coupling parameter.

cond-mat.mtrl-sci

Structural disorder in Li(x)[C5H5N](y)Fe(2-z)Se2 and Cs(x)Fe(2-z)Se2 superconductors studied by Mössbauer spectroscopy

Two iron-chalcogenide superconductors Li(x)[C5H5N](y)Fe(2-z)Se2 and Cs(x)Fe(2-z)Se2 in the as-prepared and annealed state have been investigated by means of the Moessbauer spectroscopy versus temperature. Multi-component spectra are obtained. One can see a non-magnetic component due to iron located in the unperturbed Fe-Se sheets responsible for superconductivity. Remaining components are magnetically ordered even at room temperature. There is some magnetically ordered iron in Fe-Se sheets perturbed by presence of the iron vacancies. Additionally, one can see iron dispersed between sheets in the form of magnetically ordered high spin trivalent ions, some clusters of above ions, and in the case of pyridine intercalated compound in the form of alpha-Fe precipitates. Pyridine intercalated sample shows traces of superconductivity in the as-prepared state, while cesium intercalated sample in the as-prepared state does not show any superconductivity. Superconductors with transition temperatures being 40 K and 25 K, respectively, are obtained upon annealing. Annealing leads to removal/ordering of the iron vacancies within Fe-Se sheets, while clusters of alpha-Fe grow in the pyridine intercalated sample.

cond-mat.supr-con

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

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.

cond-mat.supr-con

Magnetism of BaFe2Se3 studied by Mössbauer spectroscopy

The compound BaFe2Se3 (Pnma) has been synthesized in the form of single crystals with the average composition Ba0.992Fe1.998Se3. The Moessbauer spectroscopy used for investigation of the valence states of Fe in this compound at temperature ranging from 4.2 K till room temperature revealed the occurrence of mixed-valence state for iron. The spectrum is characterized by sharply defined electric quadrupole doublet above magnetic ordering at about 250 K. For the magnetically ordered state one sees four iron sites at least and each of them is described by separate axially symmetric electric field gradient tensor with the principal component making some angle with the hyperfine magnetic field. They form two groups occurring in equal abundances. It is likely that each group belongs to separate spin ladder with various tilts of the FeSe4 tetrahedral units along the ladder. Two impurity phases are found, i.e., superconducting FeSe and some other unidentified iron-bearing phase being magnetically disordered above 80 K. Powder form of BaFe2Se3 is unstable in contact with the air and decomposes slowly to this unidentified phase exhibiting almost the same quadrupole doublet as BaFe2Se3 above magnetic transition temperature.

cond-mat.str-el

Magnetic anisotropy in FeSb studied by 57Fe Mössbauer spectroscopy

The Fe(1+x)Sb compound has been synthesized close to stoichiometry with x = 0.023(8). The compound was investigated by 57Fe Mössbauer spectroscopy in the temperature range 4.2 - 300 K. The antiferromagnetic ordering temperature was found as 232 K i.e. much higher than for the less stoichiometric material. Regular iron was found to occupy two different positions in proportion 2:1. They differ by the electric quadrupole coupling constants and both of them exhibit extremely anisotropic electric field gradient tensor (EFG) with the asymmetry parameter equal one. The negative component of both EFGs is aligned with the c-axis of the hexagonal unit cell, while the positive component is aligned with the <120> direction. Hence, a model describing deviation from the NiAs P63/mmc symmetry group within Fe-planes has been proposed. Spectra in the magnetically ordered state could be explained by introduction of the incommensurate spin spirals propagating through the iron atoms in the direction of the c-axis with a complex pattern of the hyperfine magnetic fields distributed within a-b plane. Hyperfine magnetic field pattern of spirals due to major regular iron is smoothed by the spin polarized itinerant electrons, while the minor regular iron exhibits hyperfine field pattern characteristic of the highly covalent bonds to the adjacent antimony atoms. The excess interstitial iron orders magnetically at the same temperature as the regular iron, and magnetic moments of these atoms are likely to form two-dimensional spin glass with moments lying in the a-b plane. The upturn of the hyperfine field for minor regular iron and interstitial iron is observed below 80 K. Magneto-elastic effects are smaller than for FeAs, however the recoilless fraction increases significantly upon transition to the magnetically ordered state.

cond-mat.str-el

Electric field gradient wave (EFGW) in iron-based superconductor Ba(0.6)K(0.4)Fe2As2 studied by Mössbauer spectroscopy

The optimally doped 122 iron-based superconductor Ba(0.6)K(0.4)Fe2As2 has been studied by 57Fe Moessbauer spectroscopy versus temperature ranging from 4.2 K till 300 K with particular attention paid to the superconducting transition around 38 K. The spectra do not contain magnetic components and they exhibit quasi-continuous distribution of quadrupole split doublets. A distribution follows the electric field gradient (EFG) spatial modulation (wave) - EFGW. The EFGW is accompanied by some charge density wave (CDW) having about an order of magnitude lesser influence on the spectrum. The EFGW could be modeled as widely separated narrow sheets with the EFG increasing from small till maximum value almost linearly and subsequently dropping back to the original value in a similar fashion - across the sheet. One encounters very small and almost constant EFG between sheets. The EFGW shape and amplitude as well as the amplitude of CDW are strongly affected by a superconducting transition. All modulations are damped significantly at transition (38 K) and recover at a temperature being about 14 K lower. The maximum quadrupole splitting at 4.2 K amounts to about 2.1 mm/s, while the dispersion of CDW seen on the iron nuclei could be estimated far away from the superconducting gap opening and at low temperature as 0.5 el./a.u.^3. It drops to about 0.3 el./a.u.^3 just below transition to the superconducting state.

cond-mat.supr-con

Mössbauer studies of the peculiar magnetism in parent compounds of the iron-based superconductors

A review of the magnetism in the parent compounds of the iron-based superconductors is given based on the transmission Moessbauer spectroscopy of 57Fe and 151Eu. It was found that the 3d magnetism is of the itinerant character with varying admixture of the spin-polarized covalent bonds. For the 122 compounds a longitudinal spin density wave (SDW) develops. In the case of the EuFe2As2 a divalent europium orders antiferromagnetically at much lower temperature as compared to the onset of SDW. These two magnetic systems remain almost uncoupled one to another. For the non-stoichiometric Fe(1+x)Te parent of the 11 family one has a transversal SDW and magnetic order of the interstitial iron with relatively high and localized magnetic moments. These two systems are strongly coupled one to another. For the grand parent of the iron-based superconductors FeAs one observes two mutually orthogonal phase-related transversal SDW on the iron sites. There are two sets of such spin arrangements due to two crystallographic iron sites. The FeAs exhibits the highest covalency among compounds studied, but it has still a metallic character.

cond-mat.supr-con