Using an RPA approximation, we have calculated the strengths of the singlet and triplet pairing interactions which arise from the exchange of spin and orbital fluctuations for a 2-orbital model of the Fe-pnictide superconductors. When the system is doped with F, the electron pockets become dominant and we find that the strongest pairing occurs in the singlet d-wave pairing and the triplet p-wave pairing channels, which compete closely. The pairing structure in the singlet d-wave channel corresponds to a superposition of near neighbor intra-orbital singlets with a minus sign phase difference between the $d_{xz}$ and $d_{yz}$ pairs. The leading pairing configuration in the triplet channel also involves a nearest neighbor intra-orbital pairing. We find that the strengths of both the singlet and triplet pairing grow, with the singlet pairing growing faster, as the onsite Coulomb interaction approaches the value where the S=1 particle-hole susceptibility diverges.
Josephson junctions between a $FeAs$-based superconductor with antiphase s-wave pairing and a conventional s-wave superconductor are studied. The translational invariance in a planar junction between a single crystal pnictide and an aluminum metal greatly enhances the relative weight of electron pockets in the pnictide to the critical current. In a wide doping region of the pnictide, a planar and a point contact junctions have opposite phases, which can be used to design a tri-junction ring with $π$ phase to probe the antiphase pairing.
We compare the one-loop functional renormalization group results for the cuprates and the iron pnictides. Interestingly a coherent picture suggesting that antiferromagnetic correlation causes pairing for both materials emerges.
We derive the effective action for superconducting fluctuations in a four-band model for pnictides, discussing the emergence of a single critical mode out of a dominant interband pairing mechanism. We then apply our model to calculate the paraconductivity in two-dimensional and layered three-dimensional systems, and compare our results with recent resistivity measurements in SmFeAsOF
Considering model Hamiltonians that respect the symmetry properties of the pnictides, it is argued that pairing interactions that couple electrons at different orbitals with an orbital-dependent pairing strength inevitably lead to interband pairing matrix elements, at least in some regions of the Brillouin zone. Such interband pairing has not been considered of relevance in multiorbital systems in previous investigations. It is also observed that if, instead, a purely intraband pairing interaction is postulated, this requires that the pairing operator has the form $Δ^+(k)=f(k) \sum_α d^+_{k,α,…
We introduce and study an extended "t-U-J" two-orbital model for the pnictides that includes Heisenberg terms deduced from the strong coupling expansion. Including these J terms explicitly allows us to enhance the strength of the (pi, 0)-(0, pi) spin order which favors the presence of tightly bound pairing states even in the small clusters that are here exactly diagonalized. The A1g and B2g pairing symmetries are found to compete in the realistic spin-ordered and metallic regime. The dynamical pairing susceptibility additionally unveils low-lying B1g states, suggesting that small changes in pa…
A two-orbital model for Fe-pnictide superconductors is investigated using computational techniques on two-dimensional square clusters. The hopping amplitudes are derived from orbital overlap integrals, or by band structure fits, and the spin frustrating effect of the plaquette-diagonal Fe-Fe hopping is remarked. A spin 'striped' state is stable in a broad range of couplings in the undoped regime, in agreement with neutron scattering. Adding two electrons to the undoped ground state of a small cluster, the dominant pairing operators are found. Depending on parameters, two pairing operators were…
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-wav…
Weak-coupling approaches to the pairing problem in the iron pnictide superconductors have predicted a wide variety of superconducting ground states. We argue here that this is due both to the inadequacy of certain approximations to the effective low-energy band structure, and to the natural near-degeneracy of different pairing channels in superconductors with many distinct Fermi surface sheets. In particular, we review attempts to construct two-orbital effective band models, the argument for their fundamental inconsistency with the symmetry of these materials, and the comparison of the dynamic…
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.
The nature of the pairing state in iron-based superconductors is the subject of much debate. Here we argue that in one material, the stoichiometric iron pnictide KFe2As2, there is overwhelming evidence for a d-wave pairing state, characterized by symmetry-imposed vertical line nodes in the superconducting gap. This evidence is reviewed, with a focus on thermal conductivity and the strong impact of impurity scattering on the critical temperature Tc. We then compare KFe2As2 to Ba0.6K0.4Fe2As2, obtained by Ba substitution, where the pairing symmetry is s-wave and the Tc is ten times higher. The t…
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…
We examine the nature of Josephson junction between two identical Fe-pnictides with anti-phase s-wave pairing. pi-phase shift is found if the junction barrier is thick and the two Fe-pnictides are oriented in certain directions relative to the interface. Our theory provides a possible explanation for the observed half integer flux quantum transitions in a niobium/polycrystal NdFeAsO loop, and attributes the pi-phase shift to intergrain junctions of Fe-pnictides.
We study the symmetry and strength of the superconducting pairing in a two-orbital t-J1-J2-K model for iron pnictides using the salve boson mean-field theory. We show that the nearest-neighbor biquadratic interaction -K (S_i * S_j)^2 inflences the superconducting pairing phase diagram by promoting the d_{x2-y2} B_{1g} and the s_{x^2+y^2} A_{1g} channels. The resulting phase diagram consists of several competing pairing channels, including an isotropic s_{\pm} A_{1g} channel, an anisotropic d_{x2-y2} B_{1g} channel, and two s+id pairing channels. We have investigated the evolution of supercondu…
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.
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.
Orbital-ordering instability arising due to the intrapocket nesting is investigated for the tight-binding models of pnictides in the presence of orbital-lattice coupling. The incommensurate instabilities with small momentum, which may play an important role in the nematic-ordering transition, vary from model to model besides being more favorable in comparison to the spin-density wave instability in the absence of good interpocket nesting. We also examine the doping dependence of such instabilities. The electron-phonon coupling parameter required to induce them are compared with the first-princ…
In several members of the pnictide materials, spin density wave order coexists with superconductivity over a range of dopings and temperature. In this paper we show that odd-frequency superconductivity emerges on the edges of pnictides in such a coexistence phase. In particular, the breaking of spin-rotation symmetry by SDW and translation symmetry by the edge can lead to the development of odd-frequency spin-triplet Cooper pairing on edges of superconducting pnictide samples. In this case, the odd-frequency pairing has even parity components, which are immune to disorder. Our results show tha…
The discovery of the new class of pnictide superconductors has engendered a controversy about their pairing symmetry, with proposals ranging from an extended s-wave or "s$_{\pm}$" symmetry to nodal or nodeless d-wave symmetry to still more exotic order parameters such as p-wave. In this paper, building on the earlier, similar work performed for the cuprates, we propose several phase-sensitive Josephson interferometry experiments, each of which may allow resolution of the issue.
The nature of the normal state and the mechanism of superconductivity in two families of high-temperature superconductors, cuprates and pnictides, remain a matter of intense discussions. According to band-structure calculations, confirmed by ARPES data, the electronic structure of pnictides differs considerably from that of cuprates. However, in spite of these differences, it looks like in both cases there exists some general and fairly "coarse" mechanism independent of fine details of the band structure and responsible for superconductive pairing in these materials. Here, we suggest a qualita…
Orbital polarization and electronic correlation are two essential aspects in understanding the normal state and superconducting properties of multiorbital FeAs-based superconductors. In this Letter, we present a systematical study on the orbital polarization of iron pnictides from weak to strong Coulomb correlations within the KRSB approach. The magnetic phase diagram of the two-orbital model for LaFeAsO clearly shows that the striped antiferromagnetic metallic phase with considerable orbital polarization exists over a wide doping range. The reversal of the orbital polarization occurs in the i…
A number of recent experiments exhibit electronic anisotropy in the iron pnictides, and there is a growing body of experimental evidence that its origin is related to orbital ordering in Fe d_{xz} and d_{yz} orbitals. We examine this problem in the parent compounds of the iron pnictides by a combination of ab initio band theory calculations, phenomenological Ginzburg-Landau theory of coupled orbital and magnetic order parameters, and a microscopic mean-field study of the Kugel-Khomskii model. We find that orbital ordering is sufficient to explain a number of key experimental observations, in p…
A phenomenological theory of tunneling spectroscopy for Fe-pnictide superconductors is developed by taking into consideration of asymmetric interface scattering between particle and holes. It is shown that in consistent with anti-phase $s^{\pm}$-wave pairing, appreciable zero-energy surface bound states exist on the [100] surface of Fe-pnictide superconductors. However, in contrast to the [110] bound states in $d$-wave cuprate superconductors, these bound states arise as a result of non-conservation of momentum perpendicular to the interface for tunneling electrons and the $s^{\pm}$ pairing, a…
We theoretically propose a method to identify $\pm s$-wave order parameter in recently discovered Fe-pnictide superconductors. Our idea uses the Riedel anomaly in ac-Josephson current through an SI($\pm$ S) (single-band s-wave superconductor/insulator/$\pm$s-wave two-band superconductor) junction. We show that the Riedel peak effect leads to vanishing ac-Josephson current at some values of biased voltage. This phenomenon does not occur in the case when the $\pm s$-wave superconductor is replaced by a conventional s-wave one, so that the observation of this vanishing Josephson current would be …
Some of the iron pnictides show coexisting superconductivity and spin-density-wave order. We study the superconducting pairing instability in the spin-density-wave phase. Assuming that the pairing interaction is due to spin fluctuations, we calculate the effective pairing interactions in the singlet and triplet channels by summing the bubble and ladder diagrams taking the reconstructed band structure into account. The leading pairing instabilities and the corresponding superconducting gap structures are then obtained from the superconducting gap equation. We illustrate this approach for a mini…
We demonstrate that strong inter-orbital interaction is very efficient to achieve superconductivity due to magnetic fluctuations in the iron pnictides. Fermi surface states that are coupled by the antiferromagnetic wave vector are often of different orbital nature, causing pair-hopping interactions between distinct Fe-3d orbitals to become important. Performing a self-consistent FLEX calculation below $T_{c}$ we determine the superconducting order parameter as function of intra- and inter-orbital couplings. We find an $s^{\pm}$-pairing state with $T_{c}\simeq80\mathrm{K}$ for realistic paramet…
The hole-doped ground state of a recently introduced extended "t-U-J" two-orbital Hubbard model for the Fe-based superconductors is studied via exact diagonalization methods on small clusters. Similarly as in the previously studied case of electron doping, A. Nicholson et al., Phys. Rev. Lett. 106 21702 (2011), upon hole doping it is observed that there are several competing pairing symmetries including A_{1g}, B_{1g}, and B_{2g}. However, contrary to the electron-doped case, the ground state of the hole-doped state has pseudocrystal momentum k=(π,π) in the unfolded Brillouin zone. In the two …
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 …
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…
Motivated by the bad metal behavior of the iron pnictides, we study a multi-orbital $\mathrm{t-J_1-J_2}$ model and investigate possible singlet superconducting pairings. Magnetic frustration by itself leads to a large degeneracy in the pairing states. The kinetic energy breaks this into a quasi-degeneracy among a reduced set of pairing states. For small electron and hole Fermi pockets, an $A_{1g}$ state dominates over the phase diagram but a $B_{1g}$ state has close-by energy. In addition to the nodeless $A_{1g}$ $s_{x^2y^2}$ channel, the nodal $A_{1g}$ $s_{x^2+y^2}$ and $B_{1g}$ $d_{x^2-y^2}$…
We study the orbital-dependent superconducting pairing in a five-orbital t-J1-J2 model for iron pnictides. Depending on the orbital selectivity of electron correlations and the orbital characters along the Fermi surface, the superconducting gap in an A_{1g} pairing state may exhibit anisotropy. This anisotropy varies with the degree of J1-J2 magnetic frustration. We have also calculated the dynamical spin susceptibility in the superconducting state. The frequency dependence of the susceptibility at the antiferromagnetic wavevector (π,0) shows a resonance, whose width is enhanced by the orbital…
In contrast to the claim by Yanagi et al. in Ref. [1], the development of orbital fluctuations at $q ~ 0$ due to the "orthorhombic phonon" is unable to explain the high-Tc superconductivity in iron pnictides. The reason is that the orthorhombic-phonon is acoustic with the energy $ω_q \propto q$, although the authors in Ref. [1] treated it as optical phonon ($ω_o=0.02 eV$) inconsistently.
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…
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…
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.
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…
We study the pairing mechanism in iron pnictide superconductors based on the five-orbital Hubbard-Holstein model. Due to Fe-ion oscillations, the s-wave superconducting (SC) state without sign reversal (s_{++}-wave state) is induced by orbital fluctuations by using realistic model parameters. The virtue of the present theory is that the famous empirical relation between Tc and the As-Fe-As bond angle is automatically explained, since the electron-phonon (e-ph) coupling that creates the orbital fluctuations is the strongest when the As$_4$-tetrahedron is regular. The negative iron isotope effec…
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 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 …
The bad-metal behavior of the iron pnictides has motivated a theoretical description in terms of a proximity to Mott localization. Since the parent compounds of the iron pnictides contain an even number of 3d-electrons per Fe, it is important to determine whether a Mott transition robustly exists and the nature of the possible Mott insulating phases. We address these issues in a minimal two-orbital model and a more realistic four-orbital model for the parent iron pnictides using a slave-spin approach. In the two-orbital model with two electrons per Fe, we identify a transition from metal to Mo…
A leading contender for the pairing symmetry in the Fe-pnictide high temperature superconductors is extended s-wave $s_\pm$, a nodeless state in which the pairing changes sign between Fermi surfaces. Verifying such a pairing symmetry requires a special phase sensitive probe that is also momentum selective. We show that the sign structure of $s_\pm$ pairing leads to surface Andreev bound states at the sample edge. In the clean limit they only occur when the edge is along the nearest neighbor Fe-Fe bond, but not for a diagonal edge or a surface orthogonal to the c-axis. In contrast to d-wave And…
We study a diagonal 2-orbital ladder model of the Fe based superconductors using the density matrix renormalization group method. At half filling, we find a close competition between a "spin-striped" state and a non-collinear "spin-checkerboard" state, as well as significant nematic correlations. Upon finite hole or electron doping, the dominant pairing correlations are found to have A$_{1,g}$ ($S-$wave) symmetry.
We suggest that an inhomogeneous (non-zero momentum) paired phase can appear in the absence of an external magnetic field in the system with a predominant interband pairing and with separate Fermi-surface sheets. The Fermi wave vector mismatch which appears in such situation can be compensated by nonzero center-of-mass momentum of the Cooper pairs, what can lead to a spontaneous appearance of the Fulde-Ferrell type of superconducting state. The idea is examined using a tight-binding model which emulates the hole-like and the electron-like bands of iron based superconductor. The state can appea…
A growing list of experiments show orthorhombic electronic anisotropy in the iron pnictides, in some cases at temperatures well above the spin density wave transition. These experiments include neutron scattering, resistivity and magnetoresistance measurements, and a variety of spectroscopies. We explore the idea that these anisotropies stem from a common underlying cause: orbital order manifest in an unequal occupation of $d_{xz}$ and $d_{yz}$ orbitals, arising from the coupled spin-orbital degrees of freedom. We emphasize the distinction between the total orbital occupation (the integrated d…
We propose that impurity-induced electronic nematic state is realized above the orthorhombic structure transition temperature $T_S$ in iron-pnictide superconductors. In the presence of strong orbital fluctuations near $T_S$, it is theoretically revealed that a single impurity induces non-local orbital order with $C_2$-symmetry, consistently with recent STM/STS measurements. Each impurity-induced $C_2$ orbital order aligns along a-axis by applying tiny uniaxial pressure along b-axis. In this impurity-induced nematic phase, the resistivity shows sizable in-plane anisotropy ($ρ_b/ρ_a \sim 2$) eve…
We study a two-orbital spin model to describe (pi,0) stripe antiferromagnetism in the iron pnictides. The "double-spin" model has an on-site Hunds's coupling and inter-site interactions extending to second neighbors (inter- and intra-orbital) on the square lattice. Using a variational method based on a cluster decomposition, we optimize wave functions with up to 8 cluster sites (up to 2^16 variational parameters). We focus on the anomalously small ordered moments in the stripe state of the pnictides. To account for it, and large variations among different compounds, we show that the second-nei…
The one-particle spectral function and its orbital composition are investigated in a three-orbital model for the undoped parent compounds of the iron-based superconductors. In the realistic parameter regime, where results best fit experimental data, it is observed that the magnetization in the xz and yz orbitals are markedly different and the Fermi surface presents mostly xz character, as recently observed in photoemission experiments [T. Shimojima et al., Phys. Rev. Lett. 104, 057002 (2010)]. Since the ferro-orbital order in this regime is at most a few percent, these results are mainly drive…
We show that the competition between magnetism and superconductivity can be used to determine the pairing state in the iron arsenides. To this end we demonstrate that the itinerant antiferromagnetic phase (AFM) and the unconventional $s^{+-}$ sign-changing superconducting state (SC) are near the borderline of microscopic coexistence and macroscopic phase separation, explaining the experimentally observed competition of both ordered states. In contrast, conventional $s^{++}$ pairing is not able to coexist with magnetism. Expanding the microscopic free energy of the system with competing orders …
We study theoretically the coexistence of the spin-density-wave (SDW) and superconductivity in electron-doped iron-pnictide superconductors based on the two orbital model and Bogoliubov-de Gennes equations. The phase diagram is mapped out and the evolution of the Fermi surface as the doping varies is presented. The local density of states (LDOS) has also been calculated from low to high doping. We show that the strength of the superconducting coherent peak at the positive energy gets enhanced and the one at the negative energy is suppressed by the SDW order in the underdoped region. Several fe…
One of the major themes in the physics of condensed matter is unconventional superconductivity in correlated electronic systems. The symmetry structure of Cooper pairs is thought to be the key to the understanding of the pairing mechanism of their superconductivity. In iron pnictide superconductors, the precise symmetry of the order parameter as well its evolution with doping remains highly controversial. There is no general consensus on the nature of pairing in iron-based superconductors leaving the perspectives ranging from $s^{++}$ wave, to $s^{\pm}$, and $d$ wave. Here we show that doping …
The nematic state of the iron-based superconductors is studied in the undoped limit of the three-orbital ($xz$, $yz$, $xy$) spin-fermion model via the introduction of lattice degrees of freedom. Monte Carlo simulations show that in order to stabilize the experimentally observed lattice distortion and nematic order, and to reproduce photoemission experiments, {\it both} the spin-lattice and orbital-lattice couplings are needed. The interplay between their respective coupling strengths regulates the separation between the structural and Néel transition temperatures. Experimental results for the …
We examine the magnetic phase diagram of iron pnictides using a five band model. For the intermediate values of the interaction expected to hold in the iron pnictides, we find a metallic low moment state characterized by antiparallel orbital magnetic moments. The anisotropy of the interorbital hopping amplitudes is the key to understanding this low moment state. This state accounts for the small magnetization measured in undoped iron pnictides and leads to the strong exchange anisotropy found in neutron experiments. Orbital ordering is concomitant with magnetism and produces the large zx orbit…
The rich variety of iron-based superconductors and their complex electronic structure lead to a wide range of possibilities for gap symmetry and pairing components. Here we solve in the 2-Fe Brillouin zone the full frequency-dependent linearized Eliashberg equations for LiFeAs with spin-fluctuation mediated pairing interactions. The magnetic excitations are calculated with the random phase approximation on a correlated electronic structure obtained with density functional theory and dynamical mean field theory. Correlations induce long-lived local moments with orbital-dependent dynamics. The i…
We use the functional renormalization group method to analyze the phase diagram of a 4-band model for the iron-pnictides subject to band interactions with certain A_{1g} momentum dependence. We determine the parameter regimes where an extended s-wave pairing instability with and without nodes emerges. On the electron-doped side, the parameter regime in which a nodal gap appears is found to be much narrower than recently predicted in arXiv:0903.5547. On the hole-doped side, the extended s-wave pairing never becomes nodal: above a critical strength of the intra-band repulsion, the system favors …
We explore energy scales, features in the normal state transport, relevant interactions and constraints for the pairing mechanisms in the high-Tc cuprates and Fe-pnictides. Based on this analysis we attempt to identify a number of attributes of superconductors with a higher T_c. Expanded version of the article published in Nature Physics, 7, 271 (2011).
Based on the five-orbital model, we study the effect of local impurity in iron pnictides, and find that the interband impurity scattering is promoted by the d-orbital degree of freedom. This fact means that the fully-gapped sign-reversing s-wave state, which is predicted by spin fluctuation theories, is very fragile against impurities. In the BCS theory, only 1% impurities with intermediate strength induce huge pair-breaking, resulting in the large in-gap state and prominent reduction in Tc, contrary to the prediction based on simple orbital-less models. The present study provides a stringent …
We examine the appearance of the experimentally-observed stripe spin-density-wave magnetic order in five different orbital models of the iron pnictide parent compounds. A restricted mean-field ansatz is used to determine the magnetic phase diagram of each model. Using the random phase approximation, we then check this phase diagram by evaluating the static spin susceptibility in the paramagnetic state close to the mean-field phase boundaries. The momenta for which the susceptibility is peaked indicate in an unbiased way the actual ordering vector of the nearby mean-field state. The dominant or…
We determine the anisotropy of the spin fluctuation induced pairing gap on the Fermi surface of the FeAs based superconductors as function of the exchange and Hund's coupling $J_{H}$. We find that for sufficiently large $J_{H}$, nearly commensurate magnetic fluctuations yield a fully gapped $s^{\pm}$-pairing state with small anisotropy of the gap amplitude on each Fermi surface sheet, but significant variations of the gap amplitude for different sheets of the Fermi surface. In particular, we obtain the large variation of the gap amplitude on different Fermi surface sheets, as seen in ARPES exp…
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 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 …
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…
