Possibility of Unconventional Pairing Due to Coulomb Interaction in Fe-Based Pnictide Superconductors: Perturbative Analysis of Multi-Band Hubbard Models
Takuji Nomura
备注：
2 pages, 3 figures. Proceedings of the Intl. Symposium on Fe-Oxypnictide Superconductors (Tokyo, 28-29th June 2008)
发表信息：
J. Phys. Soc. Jpn. 77 (2008) Suppl. C, pp. 123-124
Possibility of unconventional pairing due to Coulomb interaction in iron-pnictide superconductors is studied by applying a perturbative approach to realistic 2- and 5-band Hubbard models. The linearized Eliashberg equation is solved by expanding the effective pairing interaction perturbatively up to third order in the on-site Coulomb integrals. The numerical results for the 5-band model suggest that the eigenvalues of the Eliashberg equation are sufficiently large to explain the actual high Tc for realistic values of Coulomb interaction and the most probable pairing state is spin-singlet s-wave without any nodes just on the Fermi surfaces, although the superconducting order parameter changes its sign between the small Fermi pockets. On the other hand the 2-band model is quite insufficient to explain the actual high Tc.
The results of neutron scattering and angle-resolved photoemission experiments for the Fe-pnictide parent compounds, and their metallic nature, are shown to impose severe constraints on the range of values that can be considered "realistic" for the intraorbital Hubbard repulsion U and Hund coupling J in multiorbital Hubbard models treated in the mean-field approximation. Phase diagrams for three- and five-orbital models are here provided, and the physically realistic regime of couplings is highlighted, to guide future theoretical work into the proper region of parameters of Hubbard models. In …
We have performed high-resolution angle-resolved photoemission spectroscopy on Fe-based superconductor LiFeAs (Tc = 18 K). We reveal multiple nodeless superconducting (SC) gaps with 2D/kBTc ratios varying from 2.8 to 6.4, depending on the Fermi surface (FS). We also succeeded in directly observing a gap anisotropy along the FS with magnitude up to ~30 %. The anisotropy is four-fold symmetric with an antiphase between the hole and electron FSs, suggesting complex anisotropic interactions for the SC pairing. The observed momentum dependence of the SC gap offers an excellent opportunity to invest…
In iron pnictides, we find that the moderate electron-phonon interaction due to the Fe-ion oscillation can induce the critical d-orbital fluctuations, without being prohibited by the Coulomb interaction. These fluctuations give rise to the strong pairing interaction for the s-wave superconducting (SC) state without sign reversal ($s_{++}$-wave state), which is consistent with experimentally observed robustness of superconductivity against impurities. When the magnetic fluctuations due to Coulomb interaction are also strong, the SC state shows a smooth crossover from the s-wave state with sign …
We investigate the electronic state and the superconductivity in the 5-orbital Hubbard model for iron pnictides by using the dynamical mean-field theory in conjunction with the Eliashberg equation. The renormalization factor exhibits significant orbital dependence resulting in the large change in the band dispersion as observed in recent ARPES experiments. The critical interactions towards the magnetic, orbital and superconducting instabilities are suppressed as compared with those from the random phase approximation (RPA) due to local correlation effects. Remarkably, the s++-pairing phase due…
We report self-consistent calculations of the gap symmetry for the iron-based high-temperature superconductors using realistic small-q phonon mediated pairing potentials and four-band energy dispersions. When both electron and hole Fermi surface pockets are present, we obtain the nodeless $s_\pm$ state that was first encountered in a spin-fluctuations mechanism picture. Nodal gap structures such as $d_{x^2-y^2}$ and $s_\pm+d_{x^2-y^2}$ and even a p-wave triplet state, are accessible upon doping within our phononic mechanism. Our results resolve the conflict between phase sensitive experiments …
Multi-orbital Hubbard model Hamiltonians for the undoped parent compounds of the Fe-pnictide superconductors are here investigated using mean-field techniques. For a realistic four-orbital model, our results show the existence of an intermediate Hubbard U coupling regime where the mean-field ground state has spin stripe magnetic order, as in neutron scattering experiments, while remaining metallic, due to the phenomenon of band overlaps. The angle-resolved photoemission intensity and Fermi surface of this magnetic and metallic state are discussed. Other models are also investigated, including …
We report a microscopic model wherein the unconventional superconductivity emerges from an incoherent `Cooper-pair glass' state. Driven by the pair-pair interaction, a new type of quasi-Bose phase transition is at work. The interaction leads to the unconventional coupling of the quasiparticles to excited pair states, or `super-quasiparticles', with a non-retarded energy-dependent gap. The model describes quantitatively the quasiparticle excitation spectra of both cuprates and pnictides, including the universal `peak-dip-hump' signatures, and for the pseudogap phase above $T_c$. The results sho…
Single- and multi-band Hubbard models have been found to describe many of the complex phenomena that are observed in the cuprate and iron-based high-temperature superconductors. Simulations of these models therefore provide an ideal framework to study and understand the superconducting properties of these systems and the mechanisms responsible for them. Here we review recent dynamic cluster quantum Monte Carlo simulations of these models, which provide an unbiased view of the leading correlations in the system. In particular, we discuss what these simulations tell us about superconductivity in…
The extent to which quantum criticality drives the physics of iron pnictides is a central question in the field. Earlier theoretical considerations were based on an effective field theory, and the proposed realization in P-doped iron arsenides has received extensive experimental evidence. To connect the quantum critical behavior with the underlying electronic physics, it is important to analyze it within microscopic models. Here, we do so for a multi-orbital model containing both Hubbard and Hund's interactions, by a variational Monte Carlo method based on Jastrow-Slater wave functions that al…
Variational Monte Carlo study of a two-orbital Hubbard model for the iron pnictides
International School for Advanced Studies (SISSA) and CNR-IOM（国际高等研究院（SISSA）与意大利国家研究委员会凝聚态物理研究所（CNR-IOM））；Institute for Condensed Matter Physics and Complex Systems, DISAT, Politecnico di Torino（都灵理工大学DISAT凝聚态物理与复杂系统研究所）
The two-orbital Hubbard model for the pnictides is studied numerically using the real-space Hartree-Fock approximation on finite clusters. Upon electron doping, states with a nonuniform distribution of charge are stabilized. The observed patterns correspond to charge stripes oriented perpendicular to the direction of the spin stripes of the undoped magnetic ground state. While these charge striped states are robust when the undoped state has a Hubbard gap, their existence when the intermediate-coupling magnetic metallic state of pnictides is doped was also observed for particular model paramet…
The precise nature of unconventional superconductivity in Iron Pnictides is presently a hotly debated issue. Here, using insights from normal state electronic structure and symmetry arguments, we show how an unconventional SC emerges from the bad metal "normal" state. Short-ranged, multi-band spin- and charge correlations generates nodeless SC in the active planar $d_{xz,yz}$ bands, and an inter-band proximity effect induces out-of-plane gap nodes in the passive $d_{3z^{2}-r^{2}}$ band. While very good quantitative agreement with various key observations in the SC state and reconciliation with…
Whether a quantum critical point (QCP) lies beneath the superconducting dome has been a long-standing issue that remains unresolved in many classes of unconventional superconductors, notably cuprates, heavy fermion compounds and most recently iron-pnictides. The existence of a QCP may offer a route to understand: the origin of their anomalous non-Fermi liquid properties, the microscopic coexistence between unconventional superconductivity and magnetic or some exotic order, and ultimately the mechanism of superconductivity itself. The isovalent substituted iron-pnictide BaFe$_2$(As$_{1-x}$P$_x$…
The recent discovery of iron-based superconductors challenges the existing paradigm of high-temperature superconductivity. Owing to their unusual multi-orbital band structure, magnetism, and electron correlation, theories propose a unique sign reversed s-wave pairing state, with the order parameter changing sign between the electron and hole Fermi pockets. However, because of the complex Fermi surface topology and material related issues, the predicted sign reversal remains unconfirmed. Here we report a novel phase-sensitive technique for probing unconventional pairing symmetry in the polycrys…
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…
The resistivity anisotropy unveiled in the study of detwinned single crystals of the undoped 122 pnictides is here studied using the two-dimensional three-orbital Hubbard model in the mean-field approximation. Calculating the Drude weight in the x and y directions at zero temperature for a Q=(π,0) magnetically ordered state, the conductance along the antiferromagnetic direction is shown to be larger than along the ferromagnetic direction. This effect is caused by the suppression of the d_{yz} orbital at the Fermi surface, but additional insight based on the momentum dependence of the transitio…
The theoretical analysis of the Cooper pair susceptibility shows the two-band Fe-based superconductors (FeSC) to support the existence of the phase with nonzero Cooper pair momentum (called the Fulde--Ferrel--Larkin--Ovchinnikov phase or shortly FFLO), regardless of the order parameter symmetry. Moreover this phase for the FeSC model with $s_{\pm}$ symmetry is the ground state of the system near the Pauli limit. This article discusses the phase diagram $h-T$ for FeSC in the two-band model and its physical consequences. We compare the results for the superconducting order parameter with s-wave …
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.
We propose theoretically how unconventional superconducting pairing in a repulsively interacting Hubbard ladder can be enhanced via the application of a Floquet driving. Initially the Hubbard ladder is prepared in its charge-density-wave dominated ground state. A periodic Floquet drive is applied which modulates oppositely the energy offset of the two chains and effectively reduces the tunneling along the rungs. This modulation of the energy offsets might be caused by the excitation of a suitable phononic mode in solids or a superlattice modulation in cold atomic gases. We use state-of-the-art…
In this review, the authors present a summary of experimental reports on newly discovered iron-based superconductors as they were known at the end of 2008. At the same time, this paper is intended to be useful for experimenters to know the current status of these superconductors. The authors introduce experimental results that reveal basic physical properties in the normal and superconducting states. The similarities and differences between iron-pnictide superconductors and other unconventional superconductors are also discussed.
We rigorously prove that an extended Hubbard model with attraction in two dimensions has an unconventional pairing ground state for any electron filling. The anisotropic spin-0 or anisotropic spin-1 pairing symmetry is realized, depending on a phase parameter characterizing the type of local attractive interactions. In both cases the ground state is unique. It is also shown that in a special case, where there are no electron hopping terms, the ground state has Ising-type Néel order at half-filling, when on-site repulsion is furthermore added. Physical applications are mentioned.
This is a comment on Phys. Rev. Lett. {\bf 110}, 126405 (2013), showing it biases the ferromagnetic order more than mean field theories would do. With over-biases like this, the theoretical method applied in the given context is called into question.
To understand the amazing variety of the superconducting states of Fe-based superconductors, we analyze the multiorbital Hubbard models for LaFeAsO and LiFeAs going beyond the random-phase approximation (RPA), by calculating the vertex correction (VC) and self-energy correction. Due to the spin+orbital mode coupling described by the VC, both orbital and spin fluctuations mutually develop, consistently with the experimental phase diagram with the orbital and magnetic orders. Due to both fluctuations, the s-wave gap function with sign-reversal ($s_{\pm}$-wave), without sign-reversal ($s_{++}$-wa…
Three-dimensional quantum Griffiths singularity in bulk iron-pnictide superconductors
Peking University（北京大学）；Beijing Academy of Quantum Information Sciences（北京量子信息科学研究院）；Dalian University of Technology（大连理工大学）；Southern University of Science and Technology（南方科技大学）；Hefei National Laboratory（合肥国家实验室）
We briefly overview the importance of Hubbard and Anderson-lattice models as applied to explanation of high-temperature and heavy-fermion superconductivity. Application of the models during the last two decades provided an explanation of the paired states in correlated fermion systems and thus extended essentially their earlier usage to the description of itinerant magnetism, fluctuating valence, and the metal-insulator transition. In second part, we also present some of the new results concerning the unconventional superconductivity and obtained very recently in our group. A comparison with e…
We determine the quantum phase diagram of the one-dimensional Hubbard model with bond-charge interaction X in addition to the usual Coulomb repulsion U at half-filling. For large enough X and positive U the model shows three phases. For large U the system is in the spin-density wave phase already known in the usual Hubbard model. As U decreases, there is first a spin transition to a spontaneously dimerized bond-ordered wave phase and then a charge transition to a novel phase in which the dominant correlations at large distances correspond to an incommensurate singlet superconductor.
We employ the weak-coupling renormalization group approach to study unconventional superconducting phases emerging in the extended, repulsive Hubbard model on paradigmatic two-dimensional lattices. Repulsive interactions usually lead to higher-angular momentum Cooper pairing. By considering not only longer-ranged hoppings, but also non-local electron-electron interactions, we are able to find superconducting solutions for all irreducible representations on the square and hexagonal lattices, including extended regions of chiral topological superconductivity. For the square, triangular and honey…
Non-trivial topology and unconventional pairing are two central guiding principles in the contemporary search for and analysis of superconducting materials and heterostructure compounds. Previously, a topological superconductor has been predominantly conceived to result from a topologically non-trivial band subject to intrinsic or external superconducting proximity effect. Here, we propose a new class of topological superconductors which are uniquely induced by unconventional pairing. They exhibit a boundary-obstructed higher-order topological character and, depending on their dimensionality, …
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…
We study a twisted Hubbard tube modeling the [CrAs] structure of quasi-one-dimensional superconductors A2Cr3As3 (A = K, Rb, Cs). The molecular-orbital bands emerging from the quasi-degenerate atomic orbitals are exactly solved. An effective Hamiltonian is derived for a region where three partially filled bands intersect the Fermi energy. The deduced local interactions among these active bands show a significant reduction compared to the original atomic interactions. The resulting three-channel Luttinger liquid shows various interaction-induced instabilities including two kinds of spin-triplet …
By applying an exact unitary transformation to a two-band hamiltonian which also includes the effects due to large pnictogen polarizabilities, we show that an attractive spin-mediated Hubbard term appears in the $d_{xz}$, $d_{yz}$ nearest-neighbour channel. This pairing mechanism implies a singlet superconducting order parameter in iron pnictides.
We have derived new boundary conditions on wave function at the normal metal / superconductor (NS) interface beyond effective mass approximation. These conditions are based on tight-binding approach and enable one to formulate quantitative model for tunneling spectroscopy of superconductors with complex non-parabolic energy spectra. The model is applied to superconductors with unconventional pairing and with multiband electronic structure. In the case of single band unconventional superconductors this model provides known conductance formula (Phys. Rev. Lett. 74 3451 1995), but with generalize…
We study the five-orbital Hubbard-Holstein model for iron pnictides with small electron-phonon interaction due to Fe-ion Einstein oscillators. Using the fluctuation-exchange (FLEX) approximation, orbital fluctuations evolve inversely proportional to the temperature, and therefore the resistivity shows linear or convex T-dependence for wide range of temperatures. We also analyze the Eliashberg gap equation, and show that s-wave superconducting state without sign reversal (s_{++}-wave state) emerges when the orbital fluctuations dominate the spin fluctuations. When both fluctuations are comparab…
Magnetic fluctuations in an unconventional superconductor (U-SC) can distinguish between distinct proposals for the symmetry of the order parameter. Motivated thereby, we undertake a study magnetic fluctuations in Iron pnictides, tracking their evolution from the incoherent normal, pseudogapped metal, to the U-SC state. Within our proposal of extended-s-plus s_{xy} inplane gap with proximity-induced out-of-plane line nodes, (i) we describe the evolution of the spin-lattice relaxation rate, from a non-Korringa form in the normal state, to a power-law form in the U-SC in good agreement with expe…
Motivated by the recent resurgence of interest in topological superconductivity, we study in this paper superconducting pairing instabilities of the hole-doped Rashba-Hubbard model on the square lattice with first- and second-neighbor hopping. Within a weak-coupling approach based on the random phase approximation, we compute the spin-fluctuation mediated paring interactions as a function of spin-orbit coupling and hole doping. Rashba spin-orbit coupling splits the spin degeneracies of the bands, which leads to two van Hove singularities at two different fillings. We find that for a broad dopi…
One of the major puzzles regarding unconventional superconductivity is how some of the most interesting superconductors are related to an insulating phase that lies in close proximity. Here we report scanning tunneling microscopy studies of the local electronic structure of Cu doped NaFeAs across the superconductor to insulator transition. We find that in the highly insulating regime the electronic spectrum develops an energy gap with diminishing density of state at the Fermi level. The overall lineshape and strong spatial variations of the spectra are strikingly similar to that of lightly dop…
We study the correlation effects on the electronic structure and spin density wave order in Fe-pnictides. Using the multiorbital Hubbard model and Gutzwiller projection, we show that nonperturbative correlation effects are essential to stabilize the metallic spin density wave phase for the intermediate correlation strengths appropriate for pnictides. We find that the ordered moments depend sensitively on the Hund's rule coupling $J$ but weakly on the intraorbital Coulomb repulsion $U$, varying from $0.3μ_B$ to $1.5μ_B$ in the range $J=0.3\sim0.8$ eV for $U=3\sim4$ eV. We obtain the phase diagr…
We study the five-orbital Hubbard model including the charge quadrupole interaction for iron pnictides. Using the fluctuation-exchange (FLEX) approximation, orbital fluctuations evolve inversely proportional to the temperature, and therefore the resistivity shows linear or convex T-dependence for wide range of temperatures. We also analyze the Eliashberg gap equation, and show that s-wave superconducting state without sign reversal (s++ -wave state) emerges when the orbital fluctuations dominate over the spin fluctuations. When both fluctuations are comparable, their competition gives rise to …
In superconductors with unconventional pairing mechanisms, the energy gap in the excitation spectrum often has nodes, which allow quasiparticle excitations at low energies. In many cases, e.g. $d$-wave cuprate superconductors, the position and topology of nodes are imposed by the symmetry, and thus the presence of gapless excitations is protected against disorder. Here we report on the observation of distinct changes in the gap structure of iron-pnictide superconductors with increasing impurity scattering. By the successive introduction of nonmagnetic point defects into BaFe$_2$(As$_{1-x}$P$_x…
Using the fluctuation-exchange (FLEX) approximation we study an effective five-band Hubbard model for iron-pnictide superconductors obtained from the first-principles band structure. We preclude deformations of the Fermi surface due to electronic correlations by introducing a static potential, which mimics the effect of charge relaxation. Evaluating the Eliashberg equation for various dopings and interaction parameters, we find that superconductivity can sustain higher hole than electron doping. Analyzing the symmetry of the superconducting order parameter we observe clear differences between …
It has gone almost unquestioned that superexchange in the t-J (or Hubbard) model, and not phonons, is responsible for the unconventional ("d-wave") pairing symmetry of cuprate superconductors. However a number of advanced numerical studies have not found superconductivity in the Hubbard model. On the other hand compelling experimental evidence for a strong electron-phonon interaction (EPI) has currently arrived. Here I briefly review some phonon-mediated unconventional pairing mechanisms. In particular the anisotropy of sound velocity makes the phonon-mediated attraction of electrons non-local…
Motivated by the recent angle-resolved photoemission spectroscopy (ARPES) on FeSe and iron pnictide families of iron-based superconductors, we have studied the orbital nematic order and its interplay with antiferromagnetism within the two-orbital Hubbard model. We used random phase approximation (RPA) to calculate the dependence of the orbital and magnetic susceptibilities on the strength of interactions and electron density (doping). To account for strong electron correlations not captured by RPA, we further employed non-perturbative variational cluster approximation (VCA) capable of capturin…
We investigate the phase diagram of a two-band frustrated Hubbard model in the framework of dynamical mean field theory. While a first-order phase transition occurs from a paramagnetic (PM) metal to an antiferromagnetic (AF) insulator when both bands are equally frustrated, an intermediate AF metallic phase appears in each band at different $U_c$ values if only one of the two bands is frustrated, resulting in continuous orbital-selective phase transitions from PM metal to AF metal and AF metal to AF insulator. We argue that such intermediate phases are possibly related to the puzzling AF metal…
We report an infrared optical study of the pnictide high-temperature superconductor BaFe$_{1.84}$Co$_{0.16}$As$_{2}$ and its parent compound BaFe$_{2}$As$_{2}$. We demonstrate that electronic correlations are moderately strong and do not change across the spin-density wave transition or with doping. By examining the energy scale and direction of spectral weight transfer, we argue that Hund's coupling \emph{J} is the primary mechanism that gives rise to correlations.
We present a polarization resolved study of the low energy band structure in the optimally doped iron pnictide superconductor Ba$_{0.6}$K$_{0.4}$Fe$_2$As$_2$ (T$_c$=37K) using angle resolved photoemission spectroscopy. Polarization-contrasted measurements are used to identify and trace all three low energy hole-like bands predicted by local density approximation (LDA) calculations. The photoemitted electrons reveal an inconsistency with LDA-predicted symmetries along the $Γ$-X high symmetry momentum axis, due to unexpectedly strong rotational anisotropy in electron kinetics. We evaluate many-b…
The NMR results in iron pnictides BaFe2(As1-xPx)2 and Ba(Fe1-xCox)2As2 are analyzed based on the self-consistent renormalization (SCR) spin fluctuation theory. The temperature dependence of the NMR relaxation rate (T_1)^{-1} as well as the electrical resistivity is well reproduced by a SCR model where two-dimensional antiferromagnetic (AF) spin fluctuations are dominant. The successful description of the crossover feature from non-Fermi liquid to Fermi liquid behavior strongly suggests that low-lying spin fluctuations in BaFe2(As1-xPx)2 and Ba(Fe1-xCox)2As2 possess an itinerant AF nature, and …
Iron-base superconductors exhibits features of systems where the Fulde-Ferrel-Larkin-Ovchinnikov (FFLO) phase, a superconducting state with non-zero total momentum of Cooper pairs, is actively sought. Experimental and theoretical evidence points strongly to the FFLO phase in these materials above the Pauli limit. In this article we discuss the ground state of iron-base superconductors near the critical magnetic field and the full $h-T$ phase diagram for pnictides in case of intra-band pairing, in a three-band model with $s_{\pm}$ symmetry.
In this paper, instabilities of the isotropic metallic phase in iron pnictides are investigated. The relevant quartic fermionic interaction terms in the model are identified using phase space arguments. Using the functional integral formalism, a Hubbard-Stratonovich transformation is used to decouple these quartic terms. This procedure introduces several bosonic fields which describe the low-energy collective modes of the system. By studying the behavior of these collective modes, a possible instability is found in the forward scattering channel of the isotropic phase driven by magnetic fluctu…
We present a novel mechanism of s-wave pairing in Fe-based superconductors. The mechanism involves holes near dxz/dyz pockets only and is applicable primarily to strongly hole doped materials. We argue that as long as the renormalized Hund's coupling J exceeds the renormalized inter-orbital Hubbard repulsion U', any finite spin-orbit coupling gives rise to s-wave superconductivity. This holds even at weak coupling and regardless of the strength of the intra-orbital Hubbard repulsion U. The transition temperature grows as the hole density decreases. The pairing gaps are four-fold symmetric, but…
We show that the fluctuations associated with ferro orbital order in the $d_{xz}$ and $d_{yz}$ orbitals can develop a sharp resonance mode in the superconducting state with a nodeless gap on the Fermi surface. This orbital resonance mode appears below the particle-hole continuum and is analogous to the magnetic resonance mode found in various unconventional superconductors. If the pairing symmetry is $s_{\pm}$, a dynamical coupling between the orbital ordering and the d-wave subdominant pairing channels is present by symmetry. Therefore the nature of the resonance mode depends on the relative …
Through a systematic high resolution angle-resolved photoemission study of the iron pnictide compounds (Ba,Sr)Fe$_2$As$_2$, we show that the electronic structures of these compounds are significantly reconstructed across the spin density wave ordering, which cannot be described by a simple folding scenario of conventional density wave ordering. Moreover, we find that LDA calculations with an incorporated suppressed magnetic moment of 0.5$μ_{\tiny{\textrm{B}}}$ can match well the details in the reconstructed electronic structure, suggesting that the nature of magnetism in the pnictides is more …
The key feature of the Fe-based superconductors is their quasi 2D multiband Fermi surface. By relating the problem to a negative U Hubbard model and its superconducting ground state, we show that the defining instability of such a Fermi surface is the valley density-wave (VDW), a combined spin/charge density-wave at the wavevector connecting the electron and hole valleys. As the valley parameters change by doping or pressure, the fictitious superconductor experiences "Zeeman splitting", eventually going into a non-uniform "Fulde-Ferrell-Larkin-Ovchinikov" (FFLO) state, an itinerant and often i…
The high-transition-temperature (high-Tc) superconductivity discovered recently in iron pnictides is analyzed within a perturbation theory. Specifically, the probable pairing symmetry, the doping dependence of the transition temperature and the pairing mechanism are studied by solving the Eliashberg equation for multi-band (2- and 5-band) Hubbard models with realistic electronic structures. The effective pairing interaction is expanded perturbatively in the on-site Coulomb integrals up to third order. Our perturbative weak-coupling approach shows that sufficiently large eigenvalues of the Elia…
Various recent experimental data and especially the large Fe-isotope effect point against unconventional pairings, since the large intra-band impurity scattering is strongly pair-breaking for them. The strength of the inter-band impurity scattering in some single crystals may be strong and probably beyond the Born scattering limit. In that case the proposed s(+-) pairing (hole(h)- and electron(el)-gaps are of opposite signs) is suppressed but possibly not completely destroyed. The data imply that the intra-band pairing in the h- and in the el-band, which are inevitably due to some nonmagnetic …
We report systematic Angle Resolved Photoemission (ARPES) experiments using different photon polarizations and experimental geometries and find that the doping evolution of the normal state of Ba(Fe1-xCox)2As2 deviates significantly from the predictions of a rigid band model. The data reveal a non-monotonic dependence upon doping of key quantities such as band filling, bandwidth of the electron pocket, and quasiparticle coherence. Our analysis suggests that the observed phenomenology and the inapplicability of the rigid band model in Co-doped Ba122 are due to electronic correlations, and not t…
Superconductors are classified by their pairing mechanism and the coupling strength, measured as the ratio of the energy gap to the critical temperature, Tc. We present an extensive comparison of the gap ratios among many single- and multiband superconductors from simple metals to high-Tc cuprates and iron pnictides. Contrary to the recently suggested universality of this ratio in Fe-based superconductors, we find that the coupling in pnictides ranges from weak, near the BCS limit, to strong, as in cuprates, bridging the gap between these two extremes. Moreover, for Fe- and Cu-based materials,…
Motivated by the premise that superconductivity in iron-based superconductors is unconventional and mediated by spin fluctuations, an intense research effort has been focused on characterizing the spin excitation spectrum in the magnetically ordered parent phases of the Fe-pnictides2,3 and - chalcogenides4. For these undoped materials it is well-established that the spin excitation spectrum consists of a sharp, highly dispersive magnon spanning an energy range of up to 200 meV (ref. 3). The fate of these high-energy magnetic modes upon sizable doping is hitherto unresolved. Using resonant inel…
We investigate the two-orbital Hubbard model, which reproduces the electron and hole Fermi surfaces in the iron pnictide superconductors, in the presence of the Jahn-Teller electron-phonon coupling by using the dynamical mean-field theory. When the intra- and inter-orbital Coulomb interactions, $U$ and $U'$, increase with $U=U'$, both the local spin and orbital susceptibilities, $χ_{s}$ and $χ_{o}$, increase with $χ_{s}=χ_{o}$ because of the spin-orbital symmetry. Due to the Hund's rule coupling $J$, $χ_{s}$ is enhanced and dominates over $χ_{o}$ resulting in the repulsive local pairing intera…
