We study the dependence of the electronic structure of iron pnictides on the angle formed by the arsenic-iron bonds. Within a Slater-Koster tight binding model which captures the correct symmetry properties of the bands, we show that the density of states and the band structure are sensitive to the distortion of the tetrahedral environment of the iron atoms. This sensitivity is extremely strong in a two-orbital (d_xz, d_yz) model due to the formation of a flat band around the Fermi level. Inclusion of the d_xy orbital destroys the flat band while keeping a considerable angle dependence in the band structure.
Spin wave dispersion and damping are investigated in the metallic SDW state of different itinerant electron models including a small interlayer hopping. Magnetic excitations in iron pnictides are shown to be well understood in terms of physical mechanisms characteristic of metallic magnets, such as carrier-induced ferromagnetic spin couplings, intra-band particle-hole excitations, and the spin-charge coupling mechanism, which is also important in ferromagnetic manganites.
We introduce a cluster DMFT (Dynamical Mean Field Theory) approach to study the normal state of the iron pnictides and chalcogenides. In the regime of moderate mass renormalizations, the self-energy is very local, justifying the success of single site DMFT for these materials and for other Hunds metals. We solve the corresponding impurity model with CTQMC (Continuous Time Quantum Monte-Carlo) and find that the minus sign problem is not severe in regimes of moderate mass renormalization.
The magnetic properties of iron pnictide superconductors with magnetic rare-earth ions under strong magnetic field are investigated based on the cluster self-consistent field method. Starting from an effective Heisenberg model, we present the evolution of magnetic structures on magnetic field in RFeAsO (R=Ce, Pr, Nd, Sm, Gd and Tb) and RFe2As2 (R=Eu) compounds. It is found that spin-flop transition occurs in both rare-earth and iron layers under magnetic field, in good agreement with the experimental results. The interplay between rare-earth and iron spins plays a key role in the magnetic-fiel…
The charge distribution in RFeAsO$_{1-x}$F$_x$ (R=La, Sm) iron pnictides is probed using As nuclear quadrupole resonance. Whereas undoped and optimally-doped or overdoped compounds feature a single charge environment, two charge environments are detected in the underdoped region. Spin-lattice relaxation measurements show their coexistence at the nanoscale. Together with the quantitative variations of the spectra with doping, they point to a local electronic order in the iron layers, where low- and high-doping-like regions would coexist. Implications for the interplay of static magnetism and su…
Motivated by the recent observation of antiferromagnetic correlations in the paramagnetic phase of iron pnictides, we study the finite-temperature spin dynamics of a two-dimensional $J_1-J_2$ antiferromagnet. We consider the paramagnetic phase in the $J_2>J_1$ regime of a $(π,0)$ collinear ground state, using the modified spin wave theory. Below the mean-field Ising transition temperature, we identify short-range anisotropic antiferromagnetic correlations. We show that the dynamical structure factor $\mathcal{S}(\mathbf{q},ω)$ contains elliptic features in the momentum space, and determine its…
A magneto-orbital coupling mechanism is proposed to account for the weak energy gap at the Fermi energy in the $(π,0)$ ordered SDW state of a realistic three band model for iron pnictides involving $d_{xz}$, $d_{yz}$, and $d_{xy}$ Fe orbitals. The orbital mixing terms between the $d_{xy}$ and $d_{xz}/d_{yz}$ orbitals, which are important in reproducing the orbital composition of the elliptical electron pockets at $(\pm π,0)$ and $(0,\pm π)$, are shown to play a key role in the energy gap formation in the SDW state.
A three-orbital itinerant-electron model involving d_{xz}, d_{yz} and d_{xy} Fe 3d orbitals is proposed for iron pnictides towards understanding the (π,0) ordered magnetism and magnetic excitations in these materials. It is shown that this model at half filling yields a gapped (π,0) magnetic state with high degree of robustness and stability, and simultaneously reproduces several experimentally observed features such as the electronic structure, spin excitations, as well as the ferro orbital order between the d_{xz} and d_{yz} orbitals.
In this work I investigate a two-band Hubbard model using the Gutzwiller wavefunction. The tight-binding part of the model was constructed to have a gapless spin-density wave state which leads to Dirac points in the bandstructure, a common feature of many iron-pnictide compounds. For quarter, half and three-quarter fillings I show that the Hund's rule coupling has a large impact on the metal-insulator transition in the paramagnetic phase. For the half-filled model in the antiferromagnetic phase, the magnetism evolves in a Stoner-like behavior and the size of the ordered moment is mainly determ…
We show that the neutron scattering spectra observed in CaFe$_2$As$_2$ by Zhao et al (arXiv:0903.2686v1) and the highly unusual spatially anisotropic exchange constants in the iron pnictides derived by Han et al (Phys. Rev. Lett. 102, 107003 (2009)), using electronic structure calculations, can be explained by assuming a role for orbital order in these materials. We write down a simple model Hamiltonian with tertagonal symmetry, whose spin-wave spectra describes the observed dispersion relations. We further argue that these materials have orbital selective Mott transition, which is driven by s…
We investigate the spin-wave excitations in the spin-density wave state of doped iron pnictides within a five-orbital model. We find that the excitations along ($π, 0$)$\rightarrow$($π, π$) are very sensitive to the doping whereas they do not exhibit a similar sensitivity along ($0, 0$) $\rightarrow$ ($π, 0$). Secondly, anisotropy in the excitations around ($π, 0$) with an elliptical shape grows on moving towards the hole-doped region for low energy, whereas it decreases for the high-energy excitations on the contrary. Thirdly, spin-wave spectral weight shifts towards the low-energy region on …
We report transport and thermodynamic properties of stoichiometric single crystals of the hexagonal iron-pnictide FeCrAs. The in-plane resistivity shows an unusual "non-metallic" dependence on temperature T, rising continuously with decreasing T from ~ 800 K to below 100 mK. The c-axis resistivity is similar, except for a sharp drop upon entry into an antiferromagnetic state at T_N 125 K. Below 10 K the resistivity follows a non-Fermi-liquid power law, rho(T) = rho_0 - AT^x with x<1, while the specific heat shows Fermi liquid behaviour with a large Sommerfeld coefficient, gamma ~ 30 mJ/mol K^2…
We investigate the role of Hund's coupling in the spin-wave excitations of the ($π, 0$) ordered magnetic state within a five-orbital tight-binding model for iron pnictides. To differentiate between the roles of intraorbital Coulomb interaction and Hund's coupling, we focus on the self-consistently obtained mean-field SDW state with a fixed magnetic moment obtained by using different sets of interaction parameters. We find that the Hund's coupling is crucial for the description of various experimentally observed characteristics of the spin-wave excitations including the anisotropy, energy-depen…
We present a phenomenological, two-fluid approach to understanding the magnetic excitations in Fe pnictides, in which a paramagnetic fluid with gapless, incoherent particle-hole excitations coexists with an antiferromagnetic fluid with gapped, coherent spin wave excitations. We show that this two-fluid phenomenology provides an excellent quantitative description of NMR data for magnetic "122" pnictides, and argue that it finds a natural justification in LSDA and spin density wave calculations. We further use this phenomenology to estimate the maximum renormalisation of the ordered moment that …
Considerations of the bad-metal behavior led to an early proposal for a quantum critical point under a P for As doping in the iron pnictides, which has since been experimentally observed. We study here an effective model for the isoelectronically tuned pnictides using a large-$N$ approach. The model contains antiferromagnetic and Ising-nematic order parameters appropriate for $J_1$-$J_2$ exchange-coupled local moments on an Fe square lattice, and a damping caused by coherent itinerant electrons. The zero-temperature magnetic and Ising transitions are concurrent and essentially continuous. The …
Spin wave excitations and stability of the (0,pi) ordered SDW state are investigated within the minimal two-band model for iron pnictides including a Hund's coupling term. The SDW state is shown to be stable in two distinct doping regimes --- finite hole doping in the lower SDW band for small second neighbour hoppings, and small electron doping in the upper SDW band for comparable first and second neighbour hoppings. In both cases, Hund's coupling strongly stabilizes the SDW state due to generation of additional ferromagnetic spin couplings involving the inter-orbital part of the particle-hole…
We calculate the magnetic and quasiparticle excitation spectra of an itinerant $J_1-J_2$ model for iron pnictides. In addition to an acoustic spin-wave branch, the magnetic spectrum has a second, optical branch, resulting from the coupled four-sublattice magnetic structure. The spin-wave velocity has also a planar directional anisotropy, due to the collinear/striped antiferromagnetism. Within the magnetically ordered phase, the quasiparticle spectrum is composed of two Dirac cones, resulting from the folding of the magnetic Brillouin zone. We discuss the relevance of our findings to the unders…
We apply the quasi-particle self-consistent GW (QSGW) approximation to some of the iron pnictide and chalcogenide superconductors. We compute Fermi surfaces and density of states, and find excellent agreement with experiment, substantially improving over standard band-structure methods. Analyzing the QSGW self-energy we discuss non-local and dynamic contributions to effective masses. We present evidence that the two contributions are mostly separable, since the quasi-particle weight is found to be essentially independent of momentum. The main effect of non locality is captured by the static bu…
The CeFeAsO and CeFePO iron pnictide compounds were studied via electrical transport measurements under high-pressure. In CeFeAsO polycrystals, the magnetic phases involving the Fe and Ce ions coexist up to 15 GPa, with no signs of pressure-induced superconductivity up to 50 GPa. For the CeFePO single crystals, pressure stabilizes the Kondo screening of the Ce 4f-electron magnetic moments.
We report on systematic excitation-density dependent all-optical femtosecond time resolved study of the spin-density wave state in iron-based superconductors. The destruction and recovery dynamics are measured by means of the standard and a multi-pulse pump-probe technique. The experimental data are analyzed and interpreted in the framework of an extended three temperature model. The analysis suggests that the optical-phonons energy-relaxation plays an important role in the recovery of almost exclusively electronically driven spin density wave order.
In the multiband systems, Hund's coupling ($J$) plays a significant role in the spin and charge excitations. We study the dependence of electronic anisotropy on $J$ in terms of Drude-weight along different directions as well as the orbital order in the four-fold symmetry broken spin-density wave state of iron pnictides. A robust behavior of the Drude-weight anisotropy within a small window around $J \sim 0.25U$ with $U$ as intraorbital Coulomb interaction is described in terms of orbital-weight distribution along the reconstructed Fermi surfaces. We also find that the ferro-orbital order incre…
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.
The large in-plane anisotropy of the resistivity is a hallmark of the nematic state of the iron pnictides. Solving the Boltzmann transport equation, we show that the prominent doping dependence as well as the large values of the anisotropy can be well explained by momentum-dependent spin-fluctuation scattering without assuming anisotropic impurity states. Due to the forward-scattering corrections, the hot spots contribute to the resistive anisotropy even in the case of strong spin fluctuations, which makes large values of the anisotropy possible. The ellipticity of the electron pockets plays a…
We attribute the structural phase transition (SPT) in the parent compounds of the iron pnictides to orbital ordering. Due to the anisotropy of the $d_{xz}$ and $d_{yz}$ orbitals in the $xy$ plane, a ferro-orbital ordering makes the orthorhombic structure more energetically favorable, thus inducing the SPT. In this orbital-ordered system, the sites with orbitals that do not order have higher energies. Scattering of the itinerant electrons by these localized two-level systems causes a resistivity anomaly upon the onset of the SPT. The proposed orbital ordering also leads to the stripe-like anti-…
We investigate multi-band Hubbard models for the three iron 3$d$-$t_{2g}$ bands and the two iron 3$d$-$e_g$ bands in ${\rm La O Fe As}$ by means of the Gutzwiller variational theory. Our analysis of the paramagnetic ground state shows that neither Hartree--Fock mean-field theories nor effective spin models describe these systems adequately. In contrast to Hartree--Fock-type approaches, the Gutzwiller theory predicts that antiferromagnetic order requires substantial values of the local Hund's-rule exchange interaction. For the three-band model, the antiferromagnetic moment fits experimental dat…
Superconductivity in the iron pnictides and chalcogenides arises at the border of antiferromagnetism, which raises the question of the role of quantum criticality. In this topical review, we describe the theoretical work that led to the prediction for a magnetic quantum critical point arising out of a competition between electronic localization and itinerancy, and the proposal for accessing it by using isoelectronic P substitution for As in the undoped iron pnictides. We go on to compile the emerging experimental evidence in support of the existence of such a quantum critical point in isoelect…
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 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 iron pnictides and the cuprates represent two families of materials, where strong antiferromagnetic correlation drives three other distinct ordering tendencies: (1) superconducting pairing, (2) Fermi surface distortion, and (3) orbital current order. We propose that (1)-(3) and the antiferromagnetic correlation are the hallmarks of a class of strongly correlated materials to which the cuprates and pnictides belong. In this paper we present the results of the functional renormalization group studies to support the above claim. In addition, we show that as a function of the interlayer hoppin…
We discuss the discrepancy between the measured optical Drude weight and band structure calculations in LaFePO and other iron-based superconductors. This discrepancy is mostly due to mass renormalization arising from electronic correlation effects.
Normal state spin dynamics of the recently discovered iron-pnictide superconductors is discussed by calculating spin structure factor S(q, omega) in an itinerant five-band model within RPA approximation. Due to the characteristic Fermi surface structure of iron-pnictide, column like response is found at (pi, 0) in extended Brillouin zone in the undoped case, which is consistent with the recent neutron scattering experiment. This indicates that the localized spin model is not necessary to explain the spin dynamics of this system. Furthermore, we show that the temperature dependence of inelastic…
Two major themes in the physics of condensed matter are quantum critical phenomena and unconventional superconductivity. These usually occur in the context of competing interactions in systems of strongly-correlated electrons. All this interesting physics comes together in the behavior of the recently discovered iron pnictide compounds that have generated enormous interest because of their moderately high-temperature superconductivity. The ubiquity of antiferromagnetic ordering in their phase diagrams naturally raises the question of the relevance of magnetic quantum criticality, but the answe…
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 present a phenomenological theory of quasiparticle scattering and transport relaxation in the normal state of iron pnictides based on the simplified two-band model coupled via spin fluctuations. In analogy with anomalous properties of cuprates it is shown that a large and anomalous normal-state resistivity and thermopower can be interpreted as the consequence of strong coupling to spin fluctuations. The generalization to the superconducting phase is also discussed.
In the iron pnictide superconductors, theoretical calculations have consistently shown enhancements of the static magnetic susceptibility at both the stripe-type antiferromagnetic (AFM) and in-plane ferromagnetic (FM) wavevectors. However, the possible existence of FM fluctuations has not yet been examined from a microscopic point of view. Here, using $^{75}$As NMR data, we provide clear evidence for the existence of FM spin correlations in both the hole- and electron-doped BaFe$_2$As$_2$ families of iron-pnictide superconductors. These FM fluctuations appear to compete with superconductivity …
We use the results of first-principles electronic structure calculations and a strong coupling perturbation approach, together with general theoretical arguments, to illustrate the differences in super-exchange interactions between the copper-oxides and iron-pnictides. We show that the two magnetic ground states can be understood in a simple manner within the same theoretical foundation. Contrary to the emerging view that magnetic order in the iron-pnictides is of itinerant nature, we argue that the observed magnetic moment is small because of frustration introduced by the electrons of the Fe …
I point out that the observed discrepancy between the measured and calculated Drude weights in LaFePO may be caused not only by mass renormalization, but also by a DFT inaccuracy in determining the relative positions of the hole and electron band.
We study whether Fermi-surface (FS) nesting can give rise to high-temperature superconductivity in iron pnictides. Starting with ab initio construction of an effective four-orbital model, we employ the fluctuation-exchange approximation to show that FS does not necessarily favor the stripe antiferromagnetic order observed in experiments, especially for realistic electronic correlations. If superconductivity in iron pnictides is magnetically mediated and has fully-gapped sign-reversing s-wave symmetry, our results suggest that the pairing interaction does not arise only from FS nesting and exch…
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 …
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 propose a simple way to parameterize the gap function in iron pnictides. The key idea is to use orbital representation, not band representation, and to assume real-space short-range pairing. Our parameterization reproduces fairly well the structure of gap function obtained in microscopic calculation. At the same time the present parameterization is simple enough to obtain an intuitive picture and to develop a phenomenological theory. We also discuss simplification of the treatment of the superconducting state.
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…
A universal linear-temperature dependence of the uniform magnetic susceptibility has been observed in the nonmagnetic normal state of iron-pnictides. This non-Pauli and non-Curie-Weiss-like paramagnetic behavior cannot be understood within a pure itinerant picture. We argue that it results from the existence of a wide antiferromagnetic fluctuation window in which the local spin-density-wave correlations exist but the global directional order has not been established yet.
Double exchange mechanism is believed to favor transport along ferromagnetic directions, the failure of which in explaining the unusual resistivity anisotropy in iron pnictides is investigated. Several factors intrinsic to the microscopic mechanism of transport in iron pnictides are identified and analyzed, including the moderate Hund's coupling, low local moment, and presence of two anisotropic degenerate orbitals xz and yz. In particular, the substantial second neighbor hoppings are found to be decisive in giving results opposite to the double exchange picture. In high temperature nonmagneti…
We employ the phenomenological theory of the quasiparticle relaxation based on the simplified two-band description and the spin-fluctuation induced interband coupling to analyze recent normal-state transport data in electron-doped iron pnictides, in particular the Ba(Fe_1-x Co_x)_2As_2 family. Temperature dependence of the resistivity, thermopower and the Hall constant are evaluated. It is shown that their anomalous behavior emerging from experiments can be consistently described within the same framework assuming also non-Fermi-liquid spin fluctuations.
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.
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…
A 2-orbital t-J model over the square lattice that describes low-energy electronic excitations in iron-pnictide high-Tc superconductors is analyzed with Schwinger-boson-slave-fermion meanfield theory and by exact numerical diagonalization on a finite system. A quantum critical point (QCP) is identified that separates a commensurate spin-density wave (cSDW) state at strong Hund's rule coupling from a hidden half-metal state at weak Hund's rule coupling when inter-orbital hole hopping is suppressed. Low-energy spinwaves that disperse anisotropically from cSDW momenta are predicted at the QCP. Ne…
Observation of an anomalous temperature dependence of the spin susceptibility, along with a spin gap in NMR, in the quantum paramagnetic normal state of Iron Pnictides is a signature of an unusual metallic state. We argue that both these anomalous features are associated with a wide fluctuational regime dominated by dynamical, short-ranged and frustrated spin correlations in a strongly correlated metal. Using LDA+DMFT, we show that both these features can be quantitatively undertstood in the doped Fe-pnictides. We argue that such spin correlations naturally arise in a Mottness scenario, where …
We show how the general features of the electronic structure of the Fe-based high-Tc superconductors are a natural setting for a selective localization of the conduction electrons to arise. Slave-spin and Dynamical mean-field calculations support this picture and allow for a comparison of the magnetic properties with experiments.
In most magnetically-ordered iron pnictides, the magnetic moments lie in the FeAs planes, parallel to the modulation direction of the spin stripes. However, recent experiments in hole-doped iron pnictides have observed a reorientation of the magnetic moments from in-plane to out-of-plane. Interestingly, this reorientation is accompanied by a change in the magnetic ground state from a stripe antiferromagnet to a tetragonal non-uniform magnetic configuration. Motivated by these recent observations, here we investigate the origin of the spin anisotropy in iron pnictides using an itinerant microsc…
In correlated metals derived from Mott insulators, the motion of an electron is impeded by Coulomb repulsion due to other electrons. This phenomenon causes a substantial reduction in the electron's kinetic energy leading to remarkable experimental manifestations in optical spectroscopy. The high-Tc superconducting cuprates are perhaps the most studied examples of such correlated metals. The occurrence of high-Tc superconductivity in the iron pnictides puts a spotlight on the relevance of correlation effects in these materials. Here we present an infrared and optical study on single crystals of…
We describe the correlated electronic structure of a prototype Fe-pnictide superconductor, $SmO_{1-x}F_{x}FeAs$, using LDA+DMFT. Strong, multi-orbital electronic correlations generate a low-energy pseudogap in the undistorted phase, giving a bad, incoherent metal in qualitative agreement with observations. Very good semi-quantitative agreement with the experimental spectral functions is seen, and interpreted, within a correlated, multi-orbital picture. Our results show that Fe-pnictides should be understood as low-carrier density, incoherent metals, in resemblance to the underdoped cuprate sup…
Our comprehensive study on EuFe$_2$As$_2$ reveals a dramatic reduction of magnetic detwinning fields compared to other AFe$_2$As$_2$ (A = Ba, Sr, Ca) iron pnictides by indirect magneto-elastic coupling of the Eu$^{2+}$ ions. We find that only 0.1T are sufficient for persistent detwinning below the local Eu$^{2+}$ ordering; above $T_\text{Eu}$ = 19K, higher fields are necessary. Even after the field is switched off, a significant imbalance of twin domains remains constant up to the structural and electronic phase transition (190K). This persistent detwinning provides the unique possibility to s…
The electronic structure of iron pnictides is topologically nontrivial, leading to the appearance of Dirac cones in the band structure for the antiferromagnetic phase. Motivated by the analogy with Dirac cones in graphene, we explore the possible existence of topologically protected surface states. Surprisingly, bands of surface states exist even in the paramagnetic state. A realistic five-orbital model predicts two such bands. In the antiferromagnetic phase, these surface bands survive but split. We obtain the bulk and surface dispersion from exact diagonalization of two- and five-orbital mod…
Electron correlations produce a rich phase diagram in the iron pnictides. Earlier theoretical studies on the correlation effect demonstrated how quantum fluctuations weaken and concurrently suppress a $C_2$-symmetric single-Q antiferromagnetic order and a nematic order. Here we examine the emergent phases near the quantum phase transition. For a $C_4$-symmetric collinear double-Q antiferromagnetic order, we show that it is accompanied by both a charge order and an enhanced nematic susceptibility. Our results provide understanding for several intriguing recent experiments in hole-doped iron ars…
X-ray emission and absorption spectroscopies are jointly used as fast probes to determine the evolution as a function of doping of the fluctuating local magnetic moments in K- and Cr- hole-doped BaFe2As2. An increase in the local moment with hole-doping is found, supporting the theoretical scenario in which a Mott insulating state that would be realized for half-filled conduction bands has an influence throughout the phase diagram of these iron-pnictides.
We show the existence of an emergent SO(6) symmetry in the low energy description of the iron pnictides. This approximate symmetry provides a unifying framework for the occurrence of spin density wave (SDW) and superconductivity (SC) in these materials. We use this symmetry to make several predictions for future experiments, including the topology of the phase diagram and the presence of various resonant modes in neutron scattering experiments in both the SC and SDW phases. We also predict the existence of a new "Orbital Density Wave" state, which competes with both SDW and SC orders.
The indirect RKKY interaction in iron pnictide and chalcogenide metals is calculated for a simplified four bands Fermi surface (FS) model. We investigate the specific multi-band features and show that distinct length scales of the RKKY oscillations appear. For the regular lattice of the local moments, the generalized RKKY interaction is defined in momentum space. We consider its momentum dependence in paramagnetic and spin density wave (SDW) phases, discuss its implications for the possible type of magnetic order and compare it to the results obtained from more realistic tight-binding type Fer…
We show that the interference between scattering by impurities and by critical spin fluctuations gives rise to anisotropic transport in the Ising-nematic state of the iron pnictides. The effect is closely related to the non-Fermi liquid behavior of the resistivity near an antiferromagnetic quantum critical point. Our theory not only explains the observed sign of the resistivity anisotropy $Δρ$ in electron doped systems, but also predicts a sign change of $Δρ$ upon sufficient hole doping. Furthermore, our model naturally addresses the changes in $Δρ$ upon sample annealing and alkaline-earth sub…
