We examine the spin and charge excitations in antiferromagnetic iron pnictides by mean-field calculations with a random phase approximation in a five-band itinerant model. The calculated excitation spectra reproduce well spin-wave dispersions observed in inelastic neutron scattering, with a realistic magnetic moment for CaFe$_2$As$_2$. A particle-hole gap is found to be crucial to obtain consistent results; we predict the spin wave in LaFeAsO disappears at a lower energy than in CaFe$_2$As$_2$. We analyze that the charge dynamics to make predictions for resonant inelastic x-ray scattering spectra.
The puzzling features of the slopes of the upper critical field at the critical temperature $T_c$, $H^\prime_{c2}(T_c)\propto T_c$, and of the specific heat jump $ΔC\propto T_c^3$ of iron-pnictides are interpreted as caused by a strong pair-breaking.
The magnetic moment in the parent phase of the iron-pnictide superconductors varies with composition even when the nominal charge of iron is unchanged. We propose the spin-lattice coupling due to the magneto-volume effect as the primary origin of this effect, and formulate a Landau theory to describe the dependence of the moment to the Fe-As layer separation. We then compare the superconductive critical temperature of doped iron pnictides to the local moment predicted by the theory, and suggest that the spin-phonon coupling may play a role in the superconductivity of this compound.
We explain that the study of impurity effect in iron pnictides are correctly calculated based on the T-matrix approximation, contrary to the Comment by Bang. The replacement T with T-I proposed by Bang breaks the perturbation theory and is therefore erroneous.
We performed model calculations of Raman responses for multiband 2D superconductors. The multiband effects of screening in the A_{1g} symmetry channel were investigated analytically and numerically for a band structure model mimicing ARPES data on iron-pnictide materials. An acceptable agreement between our model calculations and recent experimental data is demonstrated by modification of the band structure parameters.
One of the outstanding problems in Iron pnictide research is the unambiguous detection of its pairing symmetry. The most probable candidates are the two-band s$++$ and sign reversed s$\pm$ wave pairing. In this work, the Andreev conductance and shot noise are used as a probe for the pairing symmetry of Iron pnictide superconductors. Clear differences emerge in both the zero bias differential conductance and the shot noise in the tunneling limit for the two cases enabling an effective distinction between the two.
The heterogeneous coexistence of antiferromagnetism (SDW) and superconductivity on a mesoscopic scale was observed in iron-pnictides in many recent experiments. We suggest and discuss the scenario in which the heterogeneity is caused by formation of domain walls inherent to the SDW state of pnictides at a proper doping or under applied pressure. Superconductivity would emerge from the modulated SDW structure. The phenomenon is akin to the FFLO-phase in superconductors.
We propose a trilayer $π$-junction that takes advantage of the unconventional $s_{x^2 y^2}=\cos k_x \cos k_y$ pairing symmetry which changes sign between electron and hole Fermi pockets in the iron pnictides. In addition, we also present theoretical results for Andreev bound states in thin superconductor-normal metal (or insulator) iron-pnictide junctions. The presence of nontrivial in-gap states, which uniquely appear in this unconventional pairing state, is a distinct feature in comparison to other singlet pairing states.
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…
The puzzling nature of magnetic and lattice phase transitions of iron pnictides is investigated via a first-principles Wannier function analysis of representative parent compound LaOFeAs. A rare ferro-orbital ordering is found to give rise to the recently observed highly anisotropic magnetic coupling, and drive the phase transitions--without resorting to widely employed frustration or nesting picture. The revealed necessity of the additional orbital physics leads to a correlated electronic structure fundamentally distinct from that of the cuprates. In particular, the strong coupling to the mag…
We examine electronic states of antiferromagnetic phase in iron pnictides by mean-field calculations of the optical conductivity. We find that a five-band model exhibiting a small magnetic moment, inconsistent with the first-principles calculations, reproduces well the excitation spectra characterized by a multi-peak structure emerging below the Néel temperature at low energy, together with an almost temperature-independent structure at high energy. Investigating the interlayer magnetoresistance for this model, we also predict its characteristic field dependence reflecting the Fermi surface.
We have discovered first homologous series of iron pnictide oxide superconductors (Fe2As2)(Can+1(Sc,Ti)nOy) [n = 3,4,5]. These compounds have extremely thick blocking layers up to quintuple perovskite oxide layers sandwiched by the Fe2As2 layers. These samples exhibited bulk superconductivity with relatively high Tc up to 42 K. The relationship between Tc and the iron-plane interlayer distance suggested that superconductivity due to the mono Fe2As2 layer is substantially 40 K-class.
In the present study we have examined the effect of negative chemical pressure in iron pnictides. We have synthesized substitution series replacing arsenic by antimony in a number of 1111- and 122-iron arsenides and present their crystallographic and physical properties. The SDW transition temperature in LaFeAs$_{\mathrm{1-x}}$Sb$_{\mathrm{x}}$O decreases with increasing antimony content, while the superconducting transition temperature in LaFeAs$_{\mathrm{1-x}}$Sb$_{\mathrm{x}}$O$_{\mathrm{0.85}}$F$_{\mathrm{0.15}}$ initially increases with Sb substitution. 1111-compounds with samarium instea…
The phenomenology of the iron pnictide superconductor can be described by the threeband s+- Eliashberg theory in which the mechanism of superconducting coupling is mediated by antiferromagnetic spin fluctuations and whose characteristic energy W0 scales with Tc according to the empirical law W0 = 4.65kBTc. This model presents the universal characteristics that are independent of the critical temperature, such as the link between the two free parameters l13 and l23 and the ratio Di/kBTc.
Nuclear magnetic relaxation rate 1/T_1 in iron-pnictide superconductors is calculated using the gap function obtained in a microscopic calculation. Based on the obtained results, we discuss the issues such as the rapid decrease of 1/T_1 just below the transition temperature and the difference between nodeless and nodal s-wave gap functions. We also investigate the effect of Coulomb interaction on 1/T_1 in the random phase approximation and show its importance in interpreting the experimental results.
Single impurity problem in iron-pnictide superconductors is investigated by solving Bogoliubov-de Gennes (BdG) equation in the five-orbital model, which enables us to distinguish s$_{+-}$ and s$_{++}$ superconducting states. We construct a five-orbital model suitable to BdG analysis. This model reproduces the results of random phase approximation in the uniform case. Using this model, we study the local density of states around a non-magnetic impurity and discuss the bound-state peak structure, which can be used for distinguishing s$_{+-}$ and s$_{++}$ states. A bound state with nearly zero-en…
The phenomenology of iron-pnictides superconductors can be explained in the framework of a three bands s\pm wave Eliashberg theory with only two free parameters plus a feedback effect i.e. the effect of the condensate on the antiferromagnetic spin fluctuactions responsible of the superconductivity in these compounds. I have examined the experimental data of four materials: LaFeAsO1-xFx, SmFeAsO1-xFx, Ba1-xKxFe2As2, and Ba(FexCo1-x)2As2 and I have found that it is possible to reproduce the experimental critical temperature and gap values in a moderate strong-coupling regime: ltot about 1.7-2.0.
We pointed out that the main claim of Ref.[1] that the presence of the orbital degree of freedom is essential to describe the correct impurity effects for Iron-based superconductors is incorrect and demonstrated the equivalent results of Tc suppression due to impurities by both the band basis model and the orbital basis model.
We investigate the 16-band d-p model for iron pnictide superconductors in the presence of the electron-phonon coupling g with the orthorhombic mode which is crucial for reproducing the recently observed ultrasonic softening. Within the RPA, we obtain the ferro-orbital order below TQ which induces the tetragonal-orthorhombic structural transition at Ts = TQ, together with the stripe-type antiferromagnetic order below TN. Near the phase transitions, the system shows the s++ wave superconductivity due to the orbital fluctuation for a large g case with TQ > TN, while the s+- wave due to the magnet…
THz and infrared spectroscopy is widely utilized to investigate the electrodynamic properties of the novel iron-based superconductors in the normal and superconducting states. Besides electronic excitations and correlations, electron-phonon coupling and the influence of magnetism, the experiments yield important information on low-lying excitations and help to clarify the number and symmetry of superconducting gaps. While the experimental data of different groups converge, the interpretation is still under debate. Here we review the status of optical investigations on the superconducting state…
The relationship between antiferromagnetic spin fluctuations and superconductivity has become a central topic of research in studies of superconductivity in the iron pnictides. We present unambiguous evidence of the absence of magnetic fluctuations in the non-superconducting collapsed tetragonal phase of CaFe2As2 via inelastic neutron scattering time-of-flight data, which is consistent with the view that spin fluctuations are a necessary ingredient for unconventional superconductivity in the iron pnictides. We demonstrate that the collapsed tetragonal phase of CaFe2As2 is non-magnetic, and dis…
We study the condition for optimizing superconductivity in the iron pnictides from the lattice structure point of view. Studying the band structure of the hypothetical lattice structure of LaFeAsO, the hole Fermi surface multiplicity is found to be maximized around the Fe-As-Fe bond angle regime where the arsenic atoms form a regular tetrahedron. Superconductivity is optimized within this three hole Fermi surface regime, while the stoner factor of the antiferromagnetism has an overall tendency of increasing upon decreasing the bond angle. Combining also the effect of the varying the Fe-As bond…
The development of the PIT fabrication process of iron pnictide superconducting wires and tapes has been carried out in order to enhance their transport properties. Silver was found to be the best sheath material, since no reaction layer was observed between the silver sheath and the superconducting core. The grain connectivity of iron pnictide wires and tapes has been markedly improved by employing Ag or Pb as dopants. At present, critical current densities in excess of 3750 A/cm^2 (Ic = 37.5 A) at 4.2 K have been achieved on Ag-sheathed SrKFeAs wires prepared with the above techniques, which…
We develop the formalism for computing the oscillations of the specific heat and thermal transport under rotated magnetic field in multiband superconductors with anisotropic gap and apply it to iron-pnictides. We show that these oscillations change sign at low temperatures and fields, which strongly influences the conclusions about the gap structure based on experiment. We find that recent measurements of the specific heat oscillations indicate that the iron-based superconductors possess an anisotropic gap with deep minima or nodes close to the line connecting electron and hole pockets. We mak…
This review discusses and compares electronic spectra of new iron-based high-temperature superconductors (HTSC), as well as a number of chemically similar compounds. Particular attention is payed to iron chalcogenide K_{1-x}Fe_{2-y}Se_2, which is isostructural to BaFe_2As_2 (122) pnictide. It is shown, that Fermi surfaces of K_{1-x}Fe_{2-y}Se_2 are essentially different from those for pnictides. Using LDA+DMFT and LDA'+DMFT calculations we show, that electronic correlations in K_{1-x}Fe_{2-y}Se_2 influence the electronic structure much more significantly, than in the most studied 122 system. W…
In conventional Bardeen-Cooper-Schrieffer (BCS) superconductors, superconductivity occurs when electrons form coherent Cooper pairs below the superconducting transition temperature Tc. Although the kinetic energy of paired electrons increases in the superconducting state relative to the normal state, the reduction in the ion lattice energy is sufficient to give the superconducting condensation energy. For iron pnictide superconductors derived from electron or hole doping of their antiferromagnetic (AF) parent compounds, the microscopic origin for supercnductivity is unclear. Here we use neutro…
Electrical resistivity measurements of detwinned single crystals of the representative iron arsenide Ba(Fe$_{1-x}$Co$_x$)$_2$As$_2$ reveal a dramatic in-plane anisotropy associated with the tetragonal-to-orthorhombic structural transition that precedes the onset of long-range antiferromagnetic order. These results indicate that the structural transition in this family of compounds is fundamentally electronic in origin.
The electronic and magnetic structures in the normal and superconducting states of iron pnictides are investigated by solving self-consistently the Bogoliubov-de Gennes equation. It is shown that strong electron correlations can induce domain walls, which separate regions with different spin density wave orders. At zero or low electron doping, $90^\circ$ domain walls are formed while anti-phase domain walls are produced at higher electron doping. On the domain walls, larger electron densities are always present. The results agree qualitatively with recent observations of scanning tunneling mic…
We investigate the role of gap characteristics such as anisotropy and inequality of the gaps in the quasiparticle interferences of iron pnictides using a five-orbital tight-binding model. We examine how the difference in the sensitivities exhibited by the sign-changing and -preserving $s$-wave superconductivity in an annular region around ($π, 0$), which can be used to determine the sign change of the superconducting gap, gets affected when the gaps are unequal on the electron and hole pocket. In addition, we also discuss how robust these differentiating features are on changing the quasiparti…
Impurity scattering is found to lead to quasi-one dimensional nanoscale modulation of the local density of states in the iron pnictides and chalcogenides. This `quasiparticle interference' feature is remarkably similar across a wide variety of pnictide and chalcogenide phases, suggesting a common origin. We show that a unified understanding of the experiments can be obtained by simply invoking a four-fold symmetry breaking $d_{xz}-d_{yz}$ orbital splitting, of a magnitude already suggested by the experiments. This can explain the one-dimensional characteristics in the local density of states o…
Consecutive proton irradiation of iron pnictides reduces the superconducting transition temperature to decrease monotonically. Our systematic optical THz investigations of Ba(Fe$_{0.9}$Co$_{0.1}$)$_2$As$_2$ thin films reveal, however, that the low-energy superconducting gap is first suppressed, but recovers for higher irradiation doses. At the same time the decrease of the superfluid density with disorder comes to a halt. These observations are in excellent agreement with theoretical calculations, which predict a disorder-induced transition of the order parameter from $s_{\pm}$ to $s_{++}$ sym…
We have observed the Josephson effect in junctions formed between single crystals of SrFe1.74Co0.26As2 and Ba0.23K0.77Fe2As2. I-V curves showed resistively-shunted junction characteristics, and the ac Josephson effect was observed under microwave irradiation. By applying an in-plane magnetic field, the critical current is completely modulated and shows a relatively symmetric diffraction pattern, consistent with the intermediate junction limit. The observation of the Josephson effect in the p-n bicrystal structure not only has significant implications for designing phase-sensitive junctions to …
Charge doping of iron-pnictide superconductors leads to collective pinning of flux vortices, whereas isovalent doping does not. Moreover, flux pinning in the charge-doped compounds is consistently described by the mean-free path fluctuations introduced by the dopant atoms, allowing for the extraction of the elastic quasiparticle scattering rate. The absence of scattering by dopant atoms in isovalently doped BaFe$_{2}$(As$_{1-x}$P$_{x}$)$_{2}$ is consistent with the observation of a linear temperature dependence of the low-temperature penetration depth in this material.
We have synthesized CuFeAs, a new iron-pnictide compound with a layered tetragonal Cu2Sb type structure (space group P4/nmm: a = b = 3.7442(2) Å and c = 5.8925(4) Å) that is identical to that of 111-type iron-based superconductors. Our measurements suggest that in low applied magnetic field it undergoes an antiferromagnetic transition below TN ~ 9 K. When compared with the ground state of CuFeSb, recently reported 111-type ferromagnetic material (TC ~ 375 K), it has important implication with regard to the nature of Fe-Fe magnetic interaction in Fe-As materials. CuFeAs does not exhibit superco…
We study Josephson junctions between a multi-band iron-pnictide Ba1-xNaxFe2As2 and conventional s-wave superconductors Nb and Cu/Nb bilayer. We observe that junctions with a Cu interlayer exhibit much larger IcRn, despite a weaker proximity-induced superconductivity. This counterintuitive result is attributed to the difference in Fermi surface geometries of Nb and Cu, which leads to a selective one-band tunneling from Cu and a non-selective multi-band tunnelng from Nb. The latter leads to a mutual cancellation of supercurrents due to the sign-reversal s+- symmetry of the order parameter in the…
Based on a phenomenological model with $s_{\pm}$ or s-wave pairing symmetry, the mixed-state effect on the low-energy spin dynamics in optimally-doped iron pnictide superconductors is studied by solving Bogoliubov-de Gennes equations. Our results of the spin susceptibility at $\mathbf{q}=\mathbf{Q}$ in the normal, superconducting and mixed states agree qualitatively with recent neutron scattering experiments. We also propose that the field-induced intensity change shows different behaviors between the $s_{\pm}$ and s-wave symmetries in both momentum and real space, thus it can be used to disti…
High resolution magnetization measurements performed in a high quality Ba_(1-x)K_xFe2As2 single crystal allowed to determine the diamagnetism induced above the superconducting transition by thermally activated Cooper pairs. These data, obtained with magnetic fields applied along and transverse to the crystal ab layers, demonstrate experimentally that the superconducting transition of iron pnictides may be explained at a phenomenological level in terms of the Gaussian Ginzburg-Landau approach for three-dimensional anisotropic superconductors.
Structural features of newly found perovskite-based iron pnictide oxide system have been systematically studied. Compared to REFePnO system, perovskite-based system tend to have lower Pn-Fe-Pn angle and higher pnictogen height owing to low electronegativity of alkaline earth metal and small repulsive force between pnictogen and oxygen atoms. As-Fe-As angles of (Fe2As2)(Sr4Cr2O6), (Fe2As2)(Sr4V2O6) and (Fe2Pn2)(Sr4MgTiO6) are close to ideal tetrahedron and those pnictogen heights of about 1.40 A are close to NdFeAsO with optimized carrier concentration. These structural features of this system …
Recent measurements of Fermi surface with de Haas-van Alphen oscillations in LaFePO showed a shrinking of the Fermi pockets with respect to first-principle LDA calculations, suggesting an energy shift of the hole and electrons bands with respect to LDA. We show that these shifts are a natural consequence of the strong particle-hole asymmetry of electronic bands in pnictides, and that they provide an indirect experimental evidence of a dominant interband scattering in these systems.
To investigate the superconducting properties of iron pnictides we prepared planar hybrid SNS' junctions in thin film technology with a pnictide base electrode, a gold barrier layer and a lead counter electrode. Our design allows characterization of the electrodes and the junction independently in a 4-probe method. We show how both electrodes influence the measured spectra due to their spreading resistance. While the Pb electrode has a constant resistance above its $T_c$, the contribution of the pnictide electrode is clearly current-dependent and thus it needs a more advanced method to be corr…
A combined density functional theory and functional renormalization group method is introduced which takes into account orbital-dependent interaction parameters to derive the effective low-energy theory of weakly to intermediately correlated Fermi systems. As an application, the competing fluctuations in LiFeAs are investigated, which is the main representative of the 111 class of iron pnictides displaying no magnetic order, but superconductivity, for the parent compound. The superconducting order parameter is found to be of s+- type driven by collinear antiferromagnetic fluctuations. They eve…
We microscopically examine the intergrain Josephson current in iron-pnictide superconductors in order to solve the puzzle of why the intergrain current is much lower than the intragrain one. The theory predicts that the intergrain Josephson current is significantly reduced by the $\pm$s-wave symmetry when the incoherent tunneling becomes predominant and the density of states and the gap amplitude between two bands are identical. We find in such a situation that the temperature dependence of the intergrain Josephson current shows an anomalously flat curve over a wide temperature range. Finally,…
From a theoretical point of view, we propose an experimental method to determine the pairing symmetry of iron pnictides. We focus on two kinds of pairing symmetries, $s_{+-}$ and $s_{++}$, which are strong candidates for the pairing symmetry of iron pnictides. For each of these two symmetries, we calculate both the density and spin response functions by using the two-band BCS model within the one-loop approximation. As a result, a clear difference is found between the $s_{+-}$- and $s_{++}$-wave states in the temperature dependence of the response functions at nesting vector $\bf{Q}$, which co…
We have studied the interplay of magnetism and superconductivity in LaFeAsO$_{1-x}$F$_x$ and Ca(Fe$_{1-x}$Co$_x$)$_2$As$_2$. While antiferromagnetic spin density wave formation is suppressed and superconductivity evolves, all samples show a doping independent strong increase of the normal state susceptibility upon heating which appears a general feature of iron pnictides. The data provide evidence for robust local antiferromagnetic correlations persisting even in the superconducting regime of the phase diagram.
This paper reviews quantum oscillation studies of iron-pnictide superconductors and related materials. These measurements give unique information regarding the full three dimensional topology of the Fermi surfaces and the renormalisation of the quasi-particle masses. The review will cover measurements of the 122 arsenide end members, XFe_2As_2 (X = Ba, Sr, Ca) which have a spin density wave ground state, but will concentrate on the phosphide end members (LaFePO and XFe2P2) which have a paramagnetic ground state and a Fermi surface topology which is similar to the higher Tc superconducting iron…
To reveal the relative importance of charge doping and defect scattering in substitutionally modified 122 iron pnictides, we perform a systematic first principles study on selected bands at the Fermi level. Disorder effects are induced by various substitutions using an orbital based coherent potential approximation (CPA). Pronounced level shifts of individual bands suggest that transition metal substitutions introduce mobile charge carriers into the system. However, important deviations from such a rigid band scenario as well as spectral broadenings due to impurity scattering correlate with th…
We examine the optical conductivity in antiferromagnetic (AFM) iron pnictides by mean-field calculation in a five-band Hubbard model. The calculated spectra are well consistent with the in-plane anisotropy observed in the measurements, where the optical conductivity along the direction with the AFM alignment of neighboring spins is larger than that along the ferromagnetic (FM) direction in the low-energy region; however, that along the FM direction becomes larger in the higher-energy region. The difference between the two directions is explained by taking account of orbital characters in both …
We have investigated the infrared and Raman optical properties of BaMn2As2 in the ab-plane and along the c-axis. The most prominent features in the infrared spectra are the Eu and A2u phonon modes which show clear TO-LO splitting from the energy loss function analysis. All the phonon features we observed in infrared and Raman spectra are consistent with the calculated values. Compared to the iron-pnictide analog AFe2As2, this compound is much more two-dimensional in its electronic properties. For E || c-axis, the overall infrared reflectivity is insulating like. Within the ab-plane the materia…
The mechanism of formation of dome-like phase diagrams and the features of magnetic field penetration in iron pnictides with hetero- and isovalent doping are considered within the framework of the previously proposed model, which assumes the local character of doping and the cluster structure of resulted superconducting phase. It is shown that the proposed model, despite its simplicity and neglect of the features of the electronic structure, makes it possible not only to accurately calculate the positions of superconducting domes on the phase diagrams of specific HTSC compounds, but also to ex…
An optical analysis reveals that the electronic correlations in the `parent' compounds of the iron pnictide superconductors are sufficiently strong to significantly impede the mobility of the electrons.
A new iron pnictide LiFeP superconductor was found. The compound crystallizes into a Cu2Sb structure containing an FeP layer showing superconductivity with maximum Tc of 6K. This is the first 111 type iron pnictide superconductor containing no arsenic. The new superconductor is featured with itinerant behavior at normal state that could helpful to understand the novel superconducting mechanism of iron pnictide compounds.
We present a scenario for iron-pnictide superconductivity mediated by charge fluctuations that are strongly enhanced by Fe-As intersite electronic interactions. Deriving an eight-band extended Hubbard model including Fe 3$d$ and As 4$p$ orbitals for the LaOFeAs family, we show that charge fluctuations induced by $p$-$d$ charge transfer and As orbital polarization interactions in the Fe-pnictogen structure peak at wavevectors $(0, 0)$, and ($π$, 0) and ($π$, $π$) respectively. Intraorbital spin-singlet pairing attraction develops at these wavevectors and the solution of the linearized gap equat…
In europium-based iron pnictides superconducting Fe-planes can be influenced by a Zeeman field originated from the neighboring Eu-planes. The field tends to induce spin-density waves with a ferromagnetic average which coexists with the superconducting order by forming complementary patterns of the superconducting and magnetic order parameters in a Fulde-Ferrell-Larkin-Ovchinnikov phase and a two-dimensional textured-superconducting phase. The hard gap around the Fermi energy disappears in these fragile inhomogeneous superconducting states, which features, instead, V-shaped spin-resolved local …
We report on a comprehensive de Haas--van Alphen (dHvA) study of the iron pnictide LaFe$_2$P$_2$. Our extensive density-functional band-structure calculations can well explain the measured angular-dependent dHvA frequencies. As salient feature, we observe only one quasi-two-dimensional Fermi-surface sheet, i.e., a hole-like Fermi-surface cylinder around $Γ$, essential for $s_\pm$ pairing, is missing. In spite of considerable mass enhancements due to many-body effects, LaFe$_2$P$_2$ shows no superconductivity. This is likely caused by the absence of any nesting between electron and hole bands.
