Magnetic Lattice Dynamics of the Oxygen-Free FeAs Pnictides: How Sensitive are Phonons to Magnetic Ordering?
Mohamed Zbiri, Ranjan Mittal, Stephane Rols, Yixi Su, Yinguo Xiao, Helmut Schober, Samrath L. Chaplot, Mark R. Johnson, Tapan Chatterji, Yasunori Inoue, Satoru … 展开作者
Mohamed Zbiri, Ranjan Mittal, Stephane Rols, Yixi Su, Yinguo Xiao, Helmut Schober, Samrath L. Chaplot, Mark R. Johnson, Tapan Chatterji, Yasunori Inoue, Satoru Matsuishi, Hideo Hosono, Thomas Brueckel
To shed light on the role of magnetism on the superconducting mechanism of the oxygen-free FeAs pnictides, we investigate the effect of magnetic ordering on phonon dynamics in the low-temperature orthorhombic parent compounds, which present a spin-density wave. The study covers both the 122 (AFe2As2; A=Ca, Sr, Ba) and 1111 (AFeAsF; A=Ca, Sr) phases. We extend our recent work on the Ca (122 and 1111) and Ba (122) cases by treating computationally and experimentally the 122 and 1111 Sr compounds. The effect of magnetic ordering is investigated through detailed non-magnetic and magnetic lattice dynamical calculations. The comparison of the experimental and calculated phonon spectra shows that the magnetic interactions/ordering have to be included in order to reproduce well the measured density of states. This highlights a spin-correlated phonon behavior which is more pronounced than the apparently weak electron-phonon coupling estimated in these materials. Furthermore, there is no noticeable difference between phonon spectra of the 122 Ba and Sr, whereas there are substantial differences when comparing these to CaFe2As2 originating from different aspects of structure and bonding.
We report muon-spin relaxation measurements of highly homogeneous samples of FeAs and FeAs2, both previously found as impurity phases in some samples of recently synthesized pnictide superconductors. We observe well defined muon precession in the FeAs sample with two precession frequencies of 38.2(3) and 22.7(9) MHz at 7.5 K, with the majority of the amplitude corresponding to the lower frequency component. In FeAs2 we confirm previous measurements showing that no long-ranged magnetic order occurs above 2 K and measure the muon spin relaxation rate, which increases on cooling. Our results excl…
One of the unifying concepts in the iron-pnictide superconductors, both for the mechanism of magnetic ordering and of unconventional order parameter character, has been the electron and hole Fermi surfaces that are approximately nested. Using the density functional methods that have predicted Fermi surfaces correctly in SrFe$_2$P$_2$, we find that the recently reported superconducting Sr$_2$VO$_3$FeAs, with $T_c$=37 K and no apparent competition between magnetism and superconductivity, possesses different Fermi surface geometry and character than previous classes of iron pnictides. The interve…
The 3D phase diagram of iron pnictides where the critical temperature depends on charge density and microstrain in the active FeAs layers is proposed. The iron pnictides superconductors are shown to be a practical realization of a heterostructure at the atomic limit made of a superlattice of FeAs layers intercalated by spacer layers. We have focussed our interest on the A 1-x BxFe2As2 (122) families and we show that FeAs layers have a tensile microstrain due to the misfit strain between the active layers and the spacers. We have identified the critical range of doping and microstrain where the…
We examine the appearance of a spin density wave in the FeAs parent compounds due to an excitonic instability. Using a realistic four-band model, we show that the magnetic state depends very sensitively upon the details of the band structure. We demonstrate that an orthorhombic distortion of the crystal enhances the stability of the antiferromagnetic order.
Ultra-thin FeAs is of interest both as the active component in the newly identified pnictide superconductors, and in spintronic applications at the interface between ferromagnetic Fe and semiconducting GaAs. Here we use first-principles density functional theory to investigate the properties of FeAs/GaAs heterostructures. We find that the Fermi surface is modified from that characteristic of the pnictide superconductors by interactions between the FeAs layer and the As atoms in the GaAs layers. Regardless of the number of FeAs layers, the Fe to As ratio, or the strain state, the lowest energy …
By means of first-principle FLAPW-GGA calculations, we have investigated the electronic properties of the newly discovered layered quaternary systems SrFeAsF and CaFeAsF as parent phases for a new group of oxygen-free FeAs superconductors. The electronic bands, density of states, Fermi surfaces, atomic charges, together with Sommerfeld coefficients and molar Pauli paramagnetic susceptibility have been evaluated and discussed in comparison with oxyarsenide LaFeAsO - a parent phase for a new class of high-temperature (Tc about 26-56K) oxygen-containing FeAs superconductors. Similarity of our dat…
The mechanism of superconductivity in pnictides is discussed through direct doping in superconducting FeAs and also in charge reservoir REO layers. The un-doped SmFeAsO is charge neutral SDW (Spin Density Wave) compound with magnetic ordering below 150 K. The Superconducting FeAs layers are doped with Co and Ni at Fe site, whereas REO layers are doped with F at O site. The electron doping in SmFeAsO through Co results in superconductivity with transition temperature (Tc) maximum up to 15 K, whereas F doping results in Tc upto 47 K in SmFeAsO. All these REFe/Co/NiAsO/F compounds are iso-structu…
We use neutron powder diffraction to study on the non-superconducting phases of ThFeAsN$_{1-x}$O$_x$ with $x=0.15, 0.6$. In our previous results on the superconducting phase ThFeAsN with $T_c=$ 30 K, no magnetic transition is observed by cooling down to 6 K, and possible oxygen occupancy at the nitrogen site is shown in the refinement(H. C. Mao \emph{et al.}, EPL, 117, 57005 (2017)). Here, in the oxygen doped system ThFeAsN$_{1-x}$O$_x$, two superconducting region ($0\leqslant x \leqslant 0.1$ and $0.25\leqslant x \leqslant 0.55$) have been identified by transport experiments (B. Z. Li \emph{e…
A review of high-pressure studies on Fe-pnictide superconductors is given. The pressure effects on the magnetic and superconducting transitions are discussed for different classes of doped and undoped FeAs-compounds, ROFeAs (R = rare earth), AeFe2As2 (Ae = Ca, Sr, Ba), and AFeAs (A = Li, Na). Pressure tends to decrease the magnetic transition temperature in the undoped or only slightly doped compounds. The superconducting Tc increases with pressure for underdoped FeAs-pnictides, remains approximately constant for optimal doping, and decreases linearly in the overdoped range. The undoped LaOFeA…
Sr2VO{3-delta}FeAs superconductors with different oxygen deficiencies have been successfully fabricated. It is found that the superconducting transition temperature drops down monotonically with the increase of oxygen deficiency. The diminishing of superconductivity is accompanied by the enhancement of residual resistivity, indicating an unraveled scattering effect induced by the oxygen deficiency. The highest superconducting transition temperature at about 40 K is achieved near the stoichiometrical sample Sr$_2$VO$_{3}$FeAs. Surprisingly, the X-ray photoelectron spectroscopy (XPS) shows that …
In most magnetically-ordered iron pnictides, the magnetic moments lie in the FeAs planes, parallel to the modulation direction of the spin stripes. However, recent experiments in hole-doped iron pnictides have observed a reorientation of the magnetic moments from in-plane to out-of-plane. Interestingly, this reorientation is accompanied by a change in the magnetic ground state from a stripe antiferromagnet to a tetragonal non-uniform magnetic configuration. Motivated by these recent observations, here we investigate the origin of the spin anisotropy in iron pnictides using an itinerant microsc…
Based on results from femtosecond time-resolved photoemission, we compare three different methods for determination of the electron-phonon coupling constant λ in Eu and Ba-based 122 FeAs compounds. We find good agreement between all three methods, which reveal a small λ < 0.2. This makes simple electron-phonon mediated superconductivity unlikely in these compounds.
The electronic structure of the intercalated iron-based superconductor Ba2Ti2Fe2As4O (Tc - 21.5 K) has been investigated by using angle-resolved photoemission spectroscopy and combined local density approximation and dynamical mean field theory calculations. The electronic states near the Fermi level are dominated by both the Fe 3d and Ti 3d orbitals, indicating that the spacing layers separating different FeAs layers are also metallic. By counting the enclosed volumes of the Fermi surface sheets, we observe a large self-doping effect, i.e. 0.25 electrons per unit cell are transferred from the…
We report on the recovery of the short-range static magnetic order and on the concomitant degradation of the superconducting state in optimally F-doped SmFe_(1-x)Ru_(x)AsO_0.85F_0.15 for 0.1< x<0.6. The two reduced order parameters coexist within nanometer-size domains in the FeAs layers and finally disappear around a common critical threshold x_c=0.6. Superconductivity and magnetism are shown to be closely related to two distinct well-defined local electronic environments of the FeAs layers. The two transition temperatures, controlled by the isoelectronic and diamagnetic Ru substitution, scal…
We review the properties of Ni-based superconductors which contain Ni2X2 (X=As, P, Bi, Si, Ge, B) planes, a common structural element found also in the recently discovered FeAs superconductors. Strong evidence for the fully gapped nature of the superconducting state has come from field dependent thermal conductivity results on BaNi2As2. Coupled with the lack of magnetism, the majority of evidence suggests that the Ni-based compounds are conventional electron-phonon mediated superconductors. However, the increase in Tc in LaNiAsO with doping is anomalous, and mimics the behavior in LaFeAsO. Fur…
We examine the possibility that the superconductivity in the newly discovered FeAs materials may be caused by the Coulomb interaction between d-electrons of the iron atoms. We find that when the Hund's rule ferromagnetic interaction is strong enough, the leading pairing instability is in spin-triplet p-wave channel in the weak coupling limit. The resulting superconducting gap has nodal lines on the 3D Fermi surfaces. The k dependent hybridization of several orbitals around a Fermi pocket is the key for the appearance of the spin-triplet p-wave pairing.
The effects of twin boundaries (TBs) on the complex interaction between magnetism and superconductivity in slightly electron-doped Ba(Ca)(FeAs)$_2$ superconductors are investigated. The spatial distributions of the magnetic, superconducting and charge density orders near two different types of TBs are calculated. We find that TBs corresponding to a 90$^\circ$ lattice rotation in the a-b plane enable magnetic domain walls to form with only a small effective Coulomb interaction between valance electrons, and that superconductivity is enhanced at such TBs. Contrastingly, we find that superconduct…
We have discovered a new iron pnictide oxide superconductor (Fe2As2)(Sr4(Mg,Ti)2O6). This material is isostructual with (Fe2As2)(Sr4M2O6) (M = Sc, Cr, V), which were found in previous studies. The structure of this compound is tetragonal with a space group of P4/nmm and consists of the anti-fluorite type FeAs layer and perovskite-type block layer. The lattice constants are a = 3.935 A and c = 15.952 A for (Fe2As2)(Sr4MgTiO6). Bulk superconductivity with Tc(onset) of ~26 K was observed for a partially Co substituted sample. Moreover, Co-free and Ti-rich samples exhibited higher Tc(onset)'s abov…
The full-potential linearized augmented plane wave method with the generalized gradient approximation for the exchange and correlation potential (LAPW-GGA) is used to understand the electronic band structure of fluorine-arsenide SrFeAsF as a possible parent material for a new group of oxygen-free FeAs superconductors. The electronic bands, density of states, Fermi surface and atomic charges have been evaluated and discussed for high-temperature tetragonal and low-temperature orthorhombic SrFeAsF phases.
Systematic P-NMR studies on LaFe(As_{1-x}P_x)(O_{1-y}F_y) with y=0.05 and 0.1 have revealed that the antiferromagnetic spin fluctuations (AFMSFs) at low energies are markedly enhanced around x=0.6 and 0.4, respectively, and as a result, Tc exhibits respective peaks at 24 K and 27 K against the P-substitution for As. This result demonstrates that the AFMSFs are responsible for the increase in Tc for LaFe(As_{1-x}P_x)(O_{1-y}F_y) as a primary mediator of the Cooper pairing. From a systematic comparison of AFMSFs with a series of (La_{1-z}Y_z)FeAsO_δ compounds in which Tc reaches 50 K for z=0.95,…
The quantum transport of Dirac cone states in the iron pnictide Ba(FeAs)$_2$ with a d-\,multiband system is studied by using single crystal samples. The transverse magnetoresistance develops linearly against magnetic field at low temperatures. The transport phenomena are interpreted in terms of the 0$^{th}$ Landau level by applying the theory predicted by Abrikosov. The results of the semiclassical analyses of a two carrier system under low magnetic field limit show that both electron and hole reside as the high mobility states, being indicative to the fact that both electron- and hole Dirac c…
Recently, Andreev bound states in iron pnictide have been proposed as an experimental probe to detect the relative minus sign in the $s_\pm$-wave pairing. While previous theoretical investigations demonstrated the feasibility of the approach, the local density of states in the midgap regime is small, making the detection hard in experiments. We revisit this important problem from the Bogoliubov-de Gennes Hamiltonian on the square lattice with appropriate boundary conditions. Significant spectral weights in the midgap regime are spotted, leading to easy detection of the Andreev bound states in …
We prepared polycrystalline SmFeAsO1-xFx (Sm1111) bulk samples by sintering and hot isostatic pressing (HIP) in order to study the effects of phase purity and relative density on the intergranular current density. Sintered and HIPped Sm1111 samples are denser with fewer impurity phases, such as SmOF and the grain boundary wetting phase, FeAs. We found quite complex magnetization behavior due to variations of both the inter and intragranular current densities. Removing porosity and reducing second phase content enhanced the intergranular current density, but HIPping reduced Tc and the intragran…
The problem of Andreev reflection between a normal metal and a multiband superconductor is addressed. The appropriate matching conditions for the wave function at the interface are established on the basis of an extension of quantum waveguide theory to these systems. Interference effects between different bands of the superconductor manifest themselves in the conductance and the case of FeAs superconductors is specifically considered, in the framework of a recently proposed effective two-band model, in the sign-reversed s-wave pairing scenario. Resonant transmission through surface Andreev bou…
We have discovered a new iron pnictide oxide superconductor (Fe2As2)(Sr4(Mg,Ti)2O6). This material is isostructual with (Fe2As2)(Sr4M2O6) (M = Sc, Cr), which was found in our previous study. The structure of this compound is tetragonal with a space group of P4/nmm and consists of the anti-fluorite type FeAs and perovskite-type blocking layers. The lattice constants are a = 3.935 A and c = 15.952 A for (Fe2As2)(Sr4MgTiO6). In both magnetization and resistivity measurements, this compound exhibits superconductivity below 10 K. Moreover, ratio of Mg and Ti in this compound can be changed toward T…
Magnetic measurements and 57Fe Mossbauer spectroscopy studies were performed on oxygen- deficient high temperature superconductor SmFeAsO0.85 with TC=52.4 K. The upper-critical behavior (HC2) values were extracted from the real part of ac measurements. The field dependence of HC2 is consistent with a two band model. Mössbauer spectra below and above TC consist of a singlet and a doublet, which are attributed to Fe ions which have two or one oxygen ions in their close vicinity, respectively. No change is observed in the major (~75%) singlet related to Fe ions surrounded by two oxygen ions. On t…
The electron spin resonance absorption spectrum of Eu^{2+} ions serves as a probe of the normal and superconducting state in Eu_{0.5}K_{0.5}Fe_2As_2. The spin-lattice relaxation rate 1/T_1^{\rm ESR} obtained from the ESR linewidth exhibits a Korringa-like linear increase with temperature above T_C evidencing a normal Fermi-liquid behavior. Below 45 K deviations from the Korringa-law occur which are ascribed to enhanced magnetic fluctuations within the FeAs layers upon approaching the superconducting transition. Below T_C the spin-lattice relaxation rate 1/T_1^{\rm ESR} follows a T^{1.5}-behavi…
Recent discovery of superconductivity in iron pnictides had attracted immense attention of the scientific community. The parent compounds were spin density wave (SDW) metals unlike the high-TC superconductors which were Mott insulators. In this present study, we synthesized single crystal of a new compound YbFe2As2 by using high temperature solution growth technique without flux. The YbFe2As2 single crystals had been systematically characterized by energy dispersive X-ray analysis (EDAX). The presence of oxygen was found by EDAX on the surfaces of grown YbFe2As2 single crystals which had been …
We have successfully synthesized the fluo-arsenide SrFeAsF, a new parent phase with the ZrCuAsSi structure. The temperature dependence of resistivity and dc magnetization both reveal an anomaly at about T_{an} = 173 K, which may correspond to the structural and/or Spin-Density-Wave (SDW) transition. Strong Hall effect and magnetoresistance were observed below T_{an}. Interestingly, the Hall coefficient R_H is positive below T_{an}, which is opposite to the cases in the two parent phases of FeAs-based systems known so far, i.e., LnFeAsO (Ln = rare earth elements) and (Ba, Sr)Fe_2As_2 where the …
We use bulk magnetic susceptibility, electronic specific heat, and neutron scattering to study structural and magnetic phase transitions in Fe$_{1+y}$Se% $_x$Te$_{1-x}$. Fe$_{1.068}$Te exhibits a first order phase transition near 67 K with a tetragonal to monoclinic structural transition and simultaneously develops a collinear antiferromagnetic (AF) order responsible for the entropy change across the transition. Systematic studies of FeSe$%_{1-x}$Te$_x$ system reveal that the AF structure and lattice distortion in these materials are different from those of FeAs-based pnictides. These results …
Using nuclear quadrupole resonance, the phase diagram of 1111 $R$FeAsO$_{1-x}$F$_x$ ($R$$=$La, Ce, Sm) iron pnictides is constructed as a function of the local charge distribution in the paramagnetic state, which features low-doping-like (LD-like) and high-doping-like (HD-like) regions. Compounds based on magnetic rare earths (Ce, Sm) display a unified behavior, and comparison with La-based compounds reveals the detrimental role of static iron $3d$ magnetism on superconductivity, as well as a qualitatively different evolution of the latter at high doping. It is found that the LD-like regions f…
An unusual successive phase transition from superconducting (SC) to antiferromagnetic (AF) phases was discovered via ^{75}As and ^{27}Al nuclear magnetic resonance (NMR) in (Fe_2As_2)(Ca_6(Al, Ti)_4O_y) with four (Al, Ti)O layers intercalated between FeAs planes. Although the spatially-uniform AF ordering is clearly visible from ^{27}Al spectra, the ordered moments are very small and the low-frequency fluctuation is much suppressed, contrary to existing pnictides with localized magnetic elements. Furthermore, the temperature (T) dependence of the fluctuation at both nuclei is very similar thro…
We report thermodynamic and transport properties, and also theoretical calculations, for Cu-based compound Ca2Cu6P5 and compare with CaCu(2-x)P2. Both materials have layers of edge-sharing copper pnictide tetrahedral CuP4, similar to Fe-As and Fe-Se layers (with FeAs4, FeSe4) in the iron-based superconductors. Despite the presence of this similar transition-metal pnictide layer, we find that both Ca2Cu6P5 and CaCu(2-x)P2 have temperature-independent magnetic susceptibility and show metallic behavior with no evidence of either magnetic ordering or superconductivity down to 1.8 K. CaCu(2-x)P2 is…
Neutron powder diffraction has been used to investigate the structural and magnetic behavior of the isoelectronically doped Fe pnictide material PrFe1-xRuxAsO. Substitution of Ru for Fe suppresses the structural and magnetic phase transitions that occur in the undoped compound PrFeAsO. Contrary to the behavior usually observed in 1111 pnictide materials, the suppression of both the structural and magnetic transitions does not result in the emergence of superconductivity or any other new ground state. Interestingly, PrFeAsO itself shows an unusual negative thermal expansion (NTE) along the c-ax…
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$_{0.6}$K$_{0.4}$Fe$_2$As$_2$($T_{c}=$ 38 K) by means of $^{57}$Fe-NMR and $^{75}$As-NQR/NMR. In the superconducting state of LaFeAsO$_{0.7}$ ($T_{c}=$ 28 K), the spin component of the $^{57}$Fe-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 $(1/T_{1})$ in LaFeAsO$_{0.7}$ and Ba$_…
Muon spin relaxation (MuSR) measurements in iron oxy-pnictide systems have revealed: (1) commensurate long-range order in undoped LaOFeAs; (2) Bessel function line shape in La(O0.97F0.03)FeAs which indicates possible incommensurate or stripe magnetism; (3) anomalous weak magnetism existing in superconducting LaOFeP, Ce(O0.84F0.16)FeAs, and Nd(O0.88F0.12)FeAs but absent in superconducting La(O0.92F0.08)FeAs; and (4) scaling of superfluid density and Tc in the Ce, La, and Nd-FeAs superconductors following a nearly linear relationship found in cuprates.
Inspired by experimental observations of the enhancement of superconductivity at the twin-boundary (TB) in slightly electron doped Ba(Ca)(FeAs)$_2$ where a strong $2\times1$ antiferromagnetic (AF) collinear order is in presence, we investigate theoretically the effects of TBs on the complex interplay between magnetism and superconductivity using a minimum phenomenological two-orbital model. The magnetic order can be simulated from an onsite Coulomb interaction $U$ and the Hund's coupling $J_H$, while the effective pairing interaction yields the superconductivity with $s\pm$ wave symmetry. The …
We show that previously measured small Fermi surface pockets within the antiferromagnetic phase of SrFe2As2 and BaFe2As2 are consistent with a Dirac dispersion modulated by interlayer hopping, giving rise to a Dirac point in k-space and a cusp in the magnetic field angle-dependent magnetic quantum oscillation frequencies. These findings support the existence of a nodal spin-density wave in these materials, which could play an important role in protecting the metallic state against localization effects. The speed of the Dirac fermions in SrFe2As2 and BaFe2As2 is found to be 14-20 times slower t…
We report a study of the Ca$_{0.73}$La$_{0.27}$FeAs$_2$ single crystals. We unravel a monoclinic to triclinic phase transition at 58 K, and a paramagnetic to stripe antiferromagnetic (AFM) phase transition at 54 K, below which spins order 45$^\circ$ away from the stripe direction. Furthermore, we demonstrate this material is substantially structurally untwinned at ambient pressure with the formation of spin rotation walls (S-walls). Finally, in addition to the central-hole and corner-electron Fermi pockets usually appearing in Fe pnictide superconductors, angle-resolved photoemission (ARPES) m…
We report 75As-NMR study on the Fe-pnictide high-Tc superconductor Y0.95La0.05FeAsO_{1-y} (Y0.95La0.051111) with Tc=50 K that includes no magnetic rare-earth elements. The measurement of the nuclear-spin lattice-relaxation rate 75(1/T1) has revealed that the nodeless bulk superconductivity takes place at Tc=50 K while antiferromagnetic spin fluctuations (AFSFs) develop moderately in the normal state. These features are consistently described by the multiple fully-gapped s_\pm-wave model based on the Fermi-surface (FS) nesting. Incorporating the theory based on band calculations, we propose tha…
The crystal structure of LnFeAsO$_{1-y}$ (Ln = La, Nd) has been studied by the powder neutron diffraction technique. The superconducting phase diagram of NdFeAsO$_{1-y}$ is established as a function of oxygen content which is determined by Rietveld refinement. The small As-Fe bond length suggests that As and Fe atoms are connected covalently. FeAs$_4$-tetrahedrons transform toward a regular shape with increasing oxygen deficiency. Superconducting transition temperatures seem to attain maximum values for regular FeAs$_4$-tetrahedrons.
Raman spectra have been measured on iron-based quaternary CeO$_{1-x}$F$_x$FeAs and LaO$_{1-x}$F$_x$FeAs with varying fluorine doping at room temperatures. A group analysis has been made to clarify the optical modes. Based on the first principle calculations, the observed phonon modes can be assigned accordingly. In LaO$_{1-x}$F$_x$FeAs, the E$_g$ and A$_{1g}$ modes related to the vibrations of La, are suppressed with increasing F doping. However F doping only has a small effect on the E$_g$ and A$_{1g}$ modes of Fe and As. The Raman modes of La and As are absent in rare-earth substituted CeO$_…
Polycrystalline samples of Sr2Mn2CuAs2O2, Sr2Mn3As2O2, and Sr2Zn2MnAs2O2 were synthesized. Their temperature- and applied magnetic field-dependent structural, transport, thermal, and magnetic properties were characterized by means of x-ray and neutron diffraction, electrical resistivity rho, heat capacity, magnetization and magnetic susceptibility measurements. These compounds have a body-centered-tetragonal crystal structure (space group I4/mmm) that consists of MO2 (M = Zn and/or Mn) oxide layers similar to the CuO2 layers in high superconducting transition temperature Tc cuprate superconduc…
We present a systematic study on the heavily Cr doped iron pnictides BaFe$_{1.9-x}$Ni$_{0.1}$Cr$_{x}$As$_{2}$ by using elastic neutron scattering, high-resolution synchrotron X-ray diffraction (XRD), resistivity and Hall transport measurements. When the Cr concentration increases from $x=$ 0 to 0.8, neutron diffraction experiments suggest that the collinear antiferromagnetism persists in the whole doping range, where the Néel temperature $T_N$ coincides with the tetragonal-to-orthorhombic structural transition temperature $T_s$, and both of them keeps around 35 K. The magnetic ordered moment, …
The recent observation of superconductivity with critical temperatures up to 55 K in the FeAs based pnictide compounds marks the first discovery of a non copper-oxide based layered high-Tc superconductor (HTSC) [1-3]. It has raised the suspicion that these new materials share a similar pairing mechanism to the cuprates, since both exhibit superconductivity following charge doping of a magnetic parent material. Here we present a muon spin rotation study on SmFeAsO1-xFx (x=0-0.30), which shows that static magnetism persists well into the superconducting regime. The analogy with the cuprates is q…
High resolution synchrotron X-ray powder diffraction (SXRPD) was used to study the temperature dependence of the oxygen deficient NdFeAsO$_{0.85}$ superconducting compound. By employing a dense temperature sampling we have managed to reveal unnoticed structural modifications that start around $\sim$180K, and disappear at the transition temperature. The data show minor changes of the structural characteristics in the Nd-O charge reservoir layer while in the superconducting Fe-As layer the FeAs$_{4}$ tetrahedron shows gradual modifications below $\sim$180K, which suddenly disappear at T$_{\rm c}…
We used the proximity effect as a tool to achieve an ideal (barrier - free) NS boundary for quantitative evaluation of transport phenomena that accompany converting dissipative current into supercurrent in NS systems with unconventional superconductors, single - crystal chalcogenide FeSe and granulated pnictide LaO(F)FeAs. Using features (limitations) of Andreev reflection in the NS systems with dispersion of the electron spin subbands, we revealed direct evidence for spin - polarized nature of transport and the absence of residual magnetization in iron - based superconductors in the normal st…
We report heat capacity measurements of the pnictide materials SmFeAsO$_{1-x}$F$_x$, NdFeAsO, LaFeAsO$_{1-x}$F$_x$ and LiFeAs. For SmFeAsO$_{1-x}$F$_x$, with x close to 0.1, we use 3 He measurements to demonstrate a transfer of entropy from the peak at TN to a previously unidentified ~2 K feature which grows with increasing doping. Our results on the Sm samples are compared with a similarly doped La sample to elucidate the crystal field levels of the Sm3+ ion at 0, 23, and 56 meV which lead to a Schottky-like anomaly, and also show that there is a significant increase in the Sommerfeld coeffic…
We report B_c2 data for LaO_{0.9}F_{0.1}FeAs_{1-delta} in a wide T and field range up to 60 Tesla. The large slope of B_c2 approx ~ -6 Tesla/K near an improved T_c = 28.5 K of the in-plane B_c2(T) contrasts with a flattening starting at 23 K above 30 Tesla we regard as the onset of Pauli-limited behavior (PLB) with B_c2(0) about 65 Tesla. We interpret a similar hitherto unexplained flattening of the B_c2(T) curves reported for at least three other disordered closely related systems as also as a manifestation of PLB. Their Maki parameters have been estimated analyzing their B_c2(T) data within …
The recently discovered high-T$_c$ superconductor Ca$_{1-x}$La$_{x}$FeAs$_{2}$ is a unique compound not only because of its low symmetry crystal structure, but also because of its electronic structure which hosts Dirac-like metallic bands resulting from (spacer) zig-zag As chains. We present a comprehensive first principles theoretical study of the electronic and crystal structures of Ca$_{1-x}$La$_{x}$FeAs$_{2}$. After discussing the connection between the crystal structure of the 112 family, which Ca$_{1-x}$La$_{x}$FeAs$_{2}$ is a member of, with the other known structures of Fe pnictide sup…
We report results of inelastic-neutron-scattering measurements of low-energy spin-wave excitations in two structurally distinct families of iron-pnictide parent compounds: Na(1-δ)FeAs and BaFe2As2. Despite their very different values of the ordered magnetic moment and Néel temperatures, T_N, in the antiferromagnetic state both compounds exhibit similar spin gaps of the order of 10 meV at the magnetic Brillouin-zone center. The gap opens sharply below T_N, with no signatures of a precursor gap at temperatures between the orthorhombic and magnetic phase transitions in Na(1-δ)FeAs. We also find a…
The study of excess conductivity $σ'(T)$ in the textured polycrystalline FeAs-based superconductor $EuFeAsO_{0.85}F_{0.15}$ ($T_c = 11\, K$) prepared by the solid state synthesis is reported. The $σ'(T)$ analysis has been performed within the Local Pair (LP) model based on the assumption of the LP formation in cuprate high-$T_c$ superconductors (cuprates) below the pseudogap (PG) temperature $T^*\gg T_c$. Similarly to the cuprates, near $T_c$ $σ'(T)$ is adequately described by the 3D term of the Aslamasov-Larkin (AL) theory but the range of the 3D-AL fluctuations, $ΔT_{3D}$, is relatively shor…
The iron-pnictide superconductors have a layered structureformed by stacks of FeAs planes from which the superconductivity originates. Given the multiband and quasi three-dimensional \cite{3D_SC} (3D) electronic structure of these high-temperature superconductors, knowledge of the quasi-3D superconducting (SC) gap is essential for understanding the superconducting mechanism. By using the \KZ-capability of angle-resolved photoemission, we completely determined the SC gap on all five Fermi surfaces (FSs) in three dimensions on \BKFAOP samples. We found a marked \KZ dispersion of the SC gap, whic…
The recent discovery of superconductivity in oxypnictides with the critical temperature (TC) higher than McMillan limit of 39 K (the theoretical maximum predicted by Bardeen-Cooper-Schrieffer (BCS) theory) has generated great excitement. Theoretical calculations indicate that the electron-phonon interaction is not strong enough to give rise to such high transition temperatures, while strong ferromagnetic/antiferromagnetic fluctuations have been proposed to be responsible. However, superconductivity and magnetism in pnictide superconductors show a strong sensitivity to the lattice, suggesting a…
We report on successful synthesis under high pressure of a series of polycrystalline GdFeAs O_{1-x}F_x high-Tc superconductors with different oxygen deficiency x=0.12 - 0.16 and also with no fluorine. We have found that the high-pressure synthesis technique is crucial for obtaining almost single-phase superconducting materials: by synthesizing the same compounds with no pressure in ampoules we obtained non-superconducting materials with an admixture of incidental phases. Critical temperature for all the materials was in the range 40 to 53K. The temperature derivative of the critical field dHc2…
We report inelastic x-ray scattering experiments on the lattice dynamics in SmFeAsO and superconducting SmFeAsO$_{0.6}$F$_{0.35}$ single crystals. Particular attention was paid to the dispersions along the [100] direction of three optical modes close to 23 meV, polarized out of the FeAs planes. Remarkably, two of these modes are strongly renormalized upon fluorine doping. These results provide significant insight into the energy and momentum dependence of the coupling of the lattice to the electron system and underline the importance of spin-phonon coupling in the superconducting iron-pnictide…
The classical Bardeen-Cooper-Schrieffer and Eliashberg theories of the electron-phonon-mediated superconductivity are based on the Migdal theorem, which is an assumption that the energy of charge carriers, $k{_B}T{_F}$, significantly exceeds the phononic energy, $\hbar{ω{_D}} $, of the crystalline lattice. This assumption, which is also known as adiabatic approximation, implies that the superconductor exhibits fast charge carriers and slow phonons. This picture is valid for pure metals and metallic alloys because these superconductors exhibit $\hbar{ω{_D}}$/$k{_B}T{_F}<0.01$. However, n-type d…
This paper explains the multi-orbital band structures and itinerant magnetism of the iron-pnictide and chalcogenides. We first describe the generic band structure of an isolated FeAs layer. Use of its Abelian glide-mirror group allows us to reduce the primitive cell to one FeAs unit. From density-functional theory, we generate the set of eight Fe $d$ and As $p$ localized Wannier functions for LaOFeAs and their tight-binding (TB) Hamiltonian, $h(k)$. We discuss the topology of the bands, i.e. allowed and avoided crossings, the origin of the d6 pseudogap, as well as the role of the As $p$ orbita…
Neutron diffraction experiments have been carried out on a Sn-flux grown BaFe2As2 single crystal, the parent compound of the A-122 family of FeAs-based high-Tc superconductors. A tetragonal to orthorhombic structural phase transition and a three dimensional long-range antiferromagnetic ordering of the iron moment, with a unique magnetic propagation wavevector k = (1, 0, 1), have been found to take place at ~90 K. The magnetic moments of iron are aligned along the long a axis in the low temperature orthorhombic phase (Fmmm with b<a<c). Our results thus demonstrate that the magnetic structure of…
