Hydrostatic pressure study of the structural phase transitions and superconductivity in single crystals of (Ba1−xKx)Fe2As2 (x=0 and 0.45) and CaFe2As2

We studied the effect of hydrostatic pressure (P) on the structural phase transitions and superconductivity in the ternary and pseudo-ternary iron arsenides CaFe₂As₂, BaFe₂As₂, and (Ba_0.55K_0.45)Fe₂As₂, by means of measurements of electrical resistivity (ρ) in the 1.8-300 K temperature (T) range, pressures up to 20 kbar, and magnetic fields up to 9 T. CaFe₂As₂ and BaFe₂As₂ (lightly doped with Sn) display structural phase transitions near 170 and 85 K, respectively, and do not exhibit superconductivity in ambient pressure, while K-doped (Ba_0.55K_0.45)Fe₂As₂ is superconducting for T<30 K. The effect of pressure on BaFe₂As₂ is to shift the onset of the crystallographic transformation down in temperature at the rate of ~−1.04 K/kbar, while shifting the whole ρ(T) curves downward, whereas its effect on superconducting (Ba_0.55K_0.45)Fe₂As₂ is to shift the onset of superconductivity to lower temperatures at the rate of ~−0.21 K/kbar. The effect of pressure on CaFe₂As₂ is first to suppress the crystallographic transformation and induce superconductivity with onset near 12 K very rapidly, i.e., for P<5 kbar. However, higher pressures bring about another phase transformation characterized by reduced-resistivity, and the suppression of superconductivity, confining superconductivity to a narrow pressure dome centered near 5 kbar. Upper critical field (H_c2) data in (Ba_0.55K_0.45)Fe₂As₂ and CaFe₂As₂ are discussed.     

Evolution of the 251 cm^-1 infrared phonon mode with temperature in Ba_0.6K_0.4Fe₂As₂

The far-infrared optical reflectivity of an optimally doped Ba1-xKxFe2As2(x =0.4) single crystal is measured from room temperature down to 4 K. We study the temperature dependence of the in-plane infrared-active phonon at 251 cm-1 . This phonon exhibits a symmetric line shape in the optical conductivity, suggesting that the coupling between the phonon and the electronic background is weak. Upon cooling down, the frequency of this phonon continuously increases, following the conventional temperature dependence expected in the absence of a structural or magnetic transition. The intensity of this phonon is temperature independent within the measurement accuracy. These observations indicate that the structural and magnetic phase transition might be completely suppressed by chemical doping in the optimally doped Ba0.6K0.4Fe2As2 compound.     

Strikingly dissimilar effect of Mn and Zn dopants imposed on local structural distortion of Ba0.5K0.5Fe2As2 superconductor

To clarify the contrasting impurity effects of Mn and Zn dopants on the critical temperature of optimally doped Ba_0.5K_0.5Fe₂As₂ superconductors, extended X‐ray absorption fine‐structure spectroscopy was implemented at the Fe and As K‐edge. In Mn‐doped compounds a gradual deviation of the symmetric FeAs₄ tetrahedron and weakening of the Fe—As bond was observed. Conversely, in Zn‐doped compounds the perfect FeAs₄ tetrahedron is maintained and the Fe—As bond is rigid. The local structural details are consistent with the development of superconductivity in these two systems, suggesting a significant role played by the topology of the FeAs₄ tetrahedron and rigidness of the Fe—As bond in Mn/Zn‐doped Ba_0.5K_0.5Fe₂As₂ superconductors.     

Upper critical magnetic field in Ba0.68K0.32Fe2As2 and Ba(Fe0.93Co0.07)2As2

We report measurements of the temperature dependence of the radio frequency magnetic penetration depth in Ba_0.68K_0.32Fe₂As₂ and Ba(Fe_0.93Co_0.07)₂As₂ single crystals in pulsed magnetic fields up to 60 T. From our data, we construct an H-T-phase diagram for the inter-plane (H ‖ c) and in-plane (H ‖ ab) directions for both compounds. For both field orientations in Ba_0.68K_0.32Fe₂As₂ we find a concave curvature of the H _c2(T) lines with decreasing anisotropy and saturation towards lower temperature. Taking into account Pauli spin paramagnetism we can describe H _c2(T) and its anisotropy. In contrast, we find that Pauli paramagnetic pair breaking is not essential for Ba(Fe_0.93Co_0.07)₂As₂. For this electron-doped compound, the data support a H _c2(T) dependence that can be described by the Werthamer-Helfand-Hohenberg model for H ‖ ab and a two-gap behavior for H ‖ c.     

Superconductivity and normal state resistivity of Ba0.6K0.4BiO3: an optical phonon approach

We discuss the nature of the pairing mechanism and the physical properties associated with the normal as well as the superconducting state of cubic perovskites Ba_0.6K_0.4BiO₃using the strong coupling theory. An interaction potential which includes the Coulomb, electron–optical phonon and electron–plasmon interactions is developed to elucidate the superconducting state. A model dielectric function is constructed with these interactions fulfilling thef-sum rule. The screening parameter (μ^* = 0.26) infers the poor screening of charge carriers. The electron–optical phonon strength (λ) estimated as 0.98 is consistent with an attractive electron–electron interaction and supports the moderate to strong coupling theory. The superconducting transition temperature of Ba_0.6K_0.4BiO₃is then estimated as 32 K. Ziman's formula of resistivity is employed to analyse and compare this with the temperature-dependent resistivity of a single crystal. The estimated contribution from the electron–optical phonon together with the residual resistivity clearly infers a difference when a comparison is made with experimental data. The subtracted data infer a quadratic temperature dependence in the temperature domain (30 ≤ T ≤ 200 K). The quadratic temperature dependence of ρ [ = ρ_exp − (ρ₀ + ρ_e–ph)] is understood in terms of 3D electron–electron inelastic scattering. The presence of these el–el and el–ph interactions allows a coherent interpretation of the physical properties. Analysis reveals that a moderate to strong coupling exists in the Ba_0.6K_0.4BiO₃system and the coupling of electrons with the high-energy optical phonons of the oxygen breathing mode will be a reason for superconductivity. The implications of the above analysis are discussed.     

Superconductivity of powder-in-tube Sr0.6K0.4Fe2As2 wires

Nb-sheathed Sr_0.6K_0.4Fe₂As₂ superconducting wires have been fabricated using the powder-in-tube (PIT) method for the first time and the superconducting properties of the wires have been investigated. The transition temperature (T_c) of the Sr_0.6K_0.4Fe₂As₂ wires is confirmed to be as high as 35.3 K. Most importantly, Sr_0.6K_0.4Fe₂As₂ wires exhibit a very weak J_c-field dependence behavior even the temperature is very close to T_c. The upper critical field H_c2(0) value can exceed 140 T, surpassing those of MgB₂ and all the low temperature superconductors. Such high H_c2 and superior J_c-field performance make the 122 phase SrKFeAs wire conductors a powerful competitor potentially useful in very high field applications.     

Electron transport and anisotropy of the upper critical magnetic field in Ba<Subscript>0.68</Subscript>K<Subscript>0.32</Subscript>Fe<Subscript>2</Subscript>As<Subscript>2</Subscript> single crystals

Early work on the iron-arsenide compounds supported the view, that a reduced dimensionality might be a necessary prerequisite for high-T _c superconductivity. Later, however, it was found that the zero-temperature upper critical magnetic field, H _c2(0), for the 122 iron pnictides is in fact rather isotropic. Here, we report measurements of the temperature dependence of the electrical resistivity, ρ(T), in Ba_0.5K_0.5Fe₂As₂ and Ba_0.68K_0.32Fe₂As₂ single crystals in zero magnetic field and in Ba_0.68K_0.32Fe₂As₂ in static and pulsed magnetic fields up to 60 T. We find that the resistivity of both compounds in zero field is well described by an exponential term due to inter-sheet umklapp electron-phonon scattering between light electrons around the M point to heavy hole sheets at the Γ point in reciprocal space. From our data, we construct an H-T phase diagram for the inter-plane (H | c) and in-plane (H | ab) directions for Ba_0.68K_0.32Fe₂As₂. Contrary to published data for 122 underdoped FeAs compounds, we find that H _c2(T) is in fact anisotropic in optimally doped samples down to low temperatures. The anisotropy parameter, γ = H _c2 ^ab /H _c2 ^c , is about 2.2 at T _c . For both field orientations we find a concave curvature of the H _c2 lines with decreasing anisotropy and saturation towards lower temperature. Taking into account Pauli spin paramagnetism, we perfectly can describe H _c2 and its anisotropy.     

Mössbauer study of fluorides: Ba2MFeF9 and NaBaFe2F9

The Mössbauer spectra of the compounds Ba₂NiFeF₉, Ba₂FeCrF₉ and NaBaFe₂F₉ have been studied as a function of temperature. Values of the Néel temperature are obtained and the effects of cationic inversion between the two sites of M^II and M^III in compounds Ni^IIFe^III and Fe^IICr^III are observed. In the latter compound, we observe broad lines at all temperatures and a smearing of the magnetic ordering temperature. However, the Fe^IIFe^III compound shows strict structural order. The two sites of Fe^III in NaBaFe₂F₉ have not been resolved.     

Luminescence enhancement by energy transfer from Ce ions in Ba1.6Ca0.4P2O7:Ce:Tb phosphor

The optical properties of Ba_1.6Ca_0.4P₂O₇ doped with Ce³⁺ and Tb³⁺ are investigated. Under excitation at 280 nm the emission spectrum of Ba_1.6Ca_0.4P₂O₇:Ce³⁺ consists of a peak at 370 nm and a shoulder at the longer wavelength side. The emission spectra of Ba_1.6Ca_0.4P₂O₇:Tb³⁺ shows the well-known emission lines due to ⁵D₄-⁷F_J transitions of Tb³⁺. The green emissions of Tb³⁺ ions are enhanced upon UV excitation through energy transfer from Ce³⁺ to Tb³⁺ ions. The efficiency of such an energy transfer is estimated based on spectroscopic data. The dependence of photoluminescence (PL) intensities of Ce³⁺ and Tb³⁺ emissions on Ce³⁺ or Tb³⁺ concentrations in the systems (Ba_1.6Ca_0.4P₂O₇:0.04Ce³⁺,xTb³⁺ and Ba_1.6Ca_0.4P₂O₇:xCe³⁺,0.04Tb³⁺) and the temperature dependence of PL emission spectra of Ba_1.6Ca_0.4P₂O₇:0.06Ce³⁺,0.04Tb³⁺ is also investigated.     

Magnetic study 2D-antiferromagnets Ba2NiF6 and Ba2FeF6 by neutron diffraction and mossbauer spectroscopy

The 2D-antiferromagnetism of tetragonal Ba₂NiF₆ and Ba₂FeF6 — whose structure derives from that of K₂NiF₄ — has been studied by magnetization measurements and by powder neutron diffraction. The magnetic cell is 2a, 2$\text{a}$,$\text{c}$ and the magnetic moments (μ_Ni²⁺ = 1.9μB and μ_Fe²⁺ = 3.46μB) lie along c. This has been confirmed by Mossbauer spectroscopy for Ba₂FeF₆.     

Impurity effect on the Raman spectra of Sr0.6Ba0.4Nb2O6

Impurity effect on the rare earth ion doped Sr_0.6Ba_0.4Nb₂O₆(SBN40) was studied at room temperature. Doping the rare earth ions of Pr³⁺ or Nd³⁺ changed the Raman profile: spectral broadening, central frequency shifts and relative intensity decreasing. Two reasons are considered according to the ferroelectric and optical properties of the rare earth ion doped SBN40: impurity-induced crystal disorder and the crystal structure change. SBN40 is the general disorder crystal and the disorder which is enhanced by doping the rare earth ion is especially strong along the x?y plane of the material compared with that along the polar C-axis.     

Superconductivity,magnetism and crystal chemistry of Ba1−xKxFe2As2

BaFe₂As₂ is the parent compound of the ‘122’ iron arsenide superconductors and crystallizes with the tetragonal ThCr₂Si₂-type structure, space group I4/mmm. A spin-density-wave transition at 140 K is accompanied by a symmetry reduction to space group Fmmm and simultaneously by antiferromagnetic ordering. Hole-doping induces superconductivity in Ba_1?xK_xFe₂As₂ with a maximum T_c of 38 K at x ≈ 0.4. The upper critical fields approach 75 T with rather small anisotropy of H_c2. At low potassium concentrations (x ? 0.2), superconductivity apparently co-exists with the orthorhombically distorted and magnetically ordered phase. At doping levels x ? 0.3, the structural distortion and antiferromagnetic ordering is completely suppressed and the T_c is maximized. No magnetically ordered domains could be detected in optimally doped Ba_1?xK_xFe₂As₂ (x ? 0.3) by ⁵⁷Fe Mössbauer spectroscopy in contrast μSR results obtained with single crystals. The magnetic hyperfine interactions investigated by ⁵⁷Fe Mössbauer spectroscopy are discussed and compared to the ZrCuSiAs-type materials.     

Magnetic characterization of the non centrosymmetric Ba3NbFe3Si2O14 langasite

The potential relevance of the Ba₃NbFe₃Si₂O₁₄ langasite in the field of multiferroism was investigated. Interesting properties were expected, in particular in view of the frustrating stacking of its magnetic Fe³⁺ cations into triangular planes of triangle units. We hereafter report results of specific heat and magnetic measurements, Mössbauer spectroscopy and neutron diffraction. A peculiar magnetic structure is found out at low temperature. The Fe³⁺ magnetic moments adopt a triangular 120° configuration within each triangle, which is in-phase propagated in each triangular plane and is helically modulated from plane to plane.     

Spin glass state in crystals of barium ferrigermanate Ba2Fe2GeO7

The temperature dependence of the magnetization and elastic neutron scattering spectra of Ba₂Fe₂GeO₇ barium ferrigermanate polycrystals are studied. The magnetization is found to depend on the magnetic prehistory of a Ba₂Fe₂GeO₇ sample below T = 8 K. Analysis of the neutron scattering spectra does not reveal long-range magnetic order down to 2 K. Our experimental data indicate the existence of a spin glass state in Ba₂Fe₂GeO₇ polycrystals.     

R2Fe14B(R=Ce,Pr,Gd)磁晶各向异性常数K1,K2随温度的变化

本文在1.5—300K温度范围内测量了R₂Fe₁₄B(R=Ce,Pr,Gd)各向异性常数K₁,K₂和各向异性场H_A随温度的变化。同时用单离子模型计算了Pr³⁺离子对Pr₂Fe₁₄B磁晶各向异性的贡献,得到与实验值半定量符合的结果。 关键词：     

First-principles electronic-structure calculation on the spin distribution and the half-metallic properties of the mixed valence iron compound Ba2F2Fe1.5S3

The first principles within the full potential linearized augmented plane wave (FP-LAPW) method with the generalized gradient approximation (GGA) approach were applied to study the new mixed valence compound Ba₂F₂Fe_1.5S₃. The density of states, the electronic band structure and the spin magnetic moment are calculated. The calculations reveal that the compound has an antiferromagnetic interaction between the Fe^III and Fe^II ions arising from the bridging S atoms, which validate the experimental assumptions that there is a low-dimensional antiferromagnetic interaction in Ba₂F₂Fe_1.5S₃. The spin magnetic moment mainly comes from the Fe^III and Fe^II ions with smaller contribution from S anion. By analysis of the band structure, we find that the compound has half-metallic property.     

Electronic structure of new oxygen-free 38-K superconductor Ba1? x K x Fe2As2 in comparison with BaFe2As2 from the first principles

Based on first-principle FLAPW-GGA calculations, we have investigated the electronic structure of the newly discovered oxygen-free 38-K superconductor Ba_1−x K _x Fe₂As₂ in comparison with a parent phase—the tetragonal ternary iron arsenide BaFe₂As₂. The density of states, magnetic properties, near-Fermi band compositions, together with the Sommerfeld coefficients γ and the molar Pauli paramagnetic susceptibility χ have been evaluated. The results obtained allow us to classify these systems as quasi-two-dimensional ionic metals, where the conduction is strongly anisotropic, occurring only in the (Fe-As) layers. According to our calculations, in the case of the hole doping of BaFe₂As₂, the density of states at the Fermi level grows, which may be a factor promoting the occurrence of superconductivity for Ba_1−x K _x Fe₂As₂. On the other hand, Ba_1−x K _x Fe₂As₂ lies at the border of the magnetic instability and the pairing interactions might involve the magnetic or orbital fluctuations. The text was submitted by the authors in English.     

Novel superconducting characteristics and unusual normal-state properties in iron-based pnictide superconductors: 57FeNMR and 75AsNQR/NMR studies in REFeAsO1−y (RE = La,Pr, Nd) and Ba0.6K0.4Fe2As2

We discuss the novel superconducting characteristics and unusual normal-state properties of iron (Fe)-based pnictide superconductors REFeAsO_1?y (RE = La, Pr, Nd) and Ba_0.6K_0.4Fe₂As₂ (T_c = 38 K) by means of ⁵⁷FeNMR and ⁷⁵AsNQR/NMR. In the superconducting state of LaFeAsO_0.7 (T_c = 28 K), the spin component of the ⁵⁷Fe-Knight shift decreases to almost zero at low temperatures, which provide firm evidence of the superconducting state formed by spin-singlet Cooper pairing. The nuclear spin–lattice relaxation rates (1/T₁) in LaFeAsO_0.7 and Ba_0.6K_0.4Fe₂As₂ exhibit a T³-like dependence without a coherence peak just below T_c, indicating that an unconventional superconducting state is commonly realized in these Fe-based pnictide compounds. All these events below T_c are consistently argued in terms of an extended s_±-wave pairing with a sign reversal of the order parameter among Fermi surfaces. In the normal state, 1/T₁T decreases remarkably upon cooling for both the Fe and As sites of LaFeAsO_0.7. In contrast, it gradually increases upon cooling in Ba_0.6K_0.4Fe₂As₂. Despite the similarity between the superconducting properties of these compounds, a crucial difference was observed in their normal-state properties depending on whether electrons or holes are doped into the FeAs layers. These results may provide some hint to address a possible mechanism of Fe-based pnictide superconductors.     

Charge transfer effects on the Fermi surface of Ba0.5K0.5Fe2As2

Ab‐initio calculations within density functional theory are performed to obtain a more systematic understanding of the electronic structure of iron pnictides. As a prototypical compound we study Ba_0.5K_0.5Fe₂As₂ and analyze the changes of its electronic structure when the interaction between the Fe₂As₂ layers and their surrounding is modified. We find strong effects on the density of states near the Fermi energy as well as the Fermi surface. The role of the electron donor atoms in iron pnictides thus cannot be understood in a rigid band picture. Instead, the bonding within the Fe₂As₂ layers reacts to a modified charge transfer from the donor atoms by adapting the intra‐layer Fe‐As hybridization and charge transfer in order to maintain an As^3‐ valence state.     

ESR in X-irradiated As2O3 glass

X-irradiation of glassy As₂O₃ at 77K or 300K produces an unusually large density (～5×10¹⁸ cm^-3) of paramagnetic centers which are stable at 300K. The average spin-Hamiltonian parameters (g = 1.998, g_⊥ = 1.984, A₆ = 243G, A_⊥ = 114G) indicate that these centers are analogous to those previously observed in As₂Se₃ and As₂S₃ glasses and that they consist of unpaired electrons localized on a non-bonding 4p orbital of an As atom. Unlike the results obtained for As₂Se₃ and As₂S₃, the concommitant holes in As₂O₃ are trapped on Fe²⁺ impurity sites which become Fe³⁺ and not on non-bonding oxygen p orbitals. The radiation induced ESR is also accompanied by a stable optical absorption tail which lies within the band gap and increases exponentially with energy. This absorption can be partially bleached with the application of sub-band-gap light.