ARPES experiments on iron based superconductors show that the differences between the measured and calculated electronic band structures look insignificant but can be crucial for understanding of the mechanism of high temperature superconductivity. Here we focus on those differences for 111 and 122 compounds and discuss the observed correlation of the experimental band structure with the superconductivity.
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 performed an angle-resolved photoemission spectroscopy study of BaMn$_2$As$_2$ and BaMn$_2$Sb$_2$, which are isostructural to the parent compound BaFe$_2$As$_2$ of the 122 family of ferropnictide superconductors. We show the existence of a strongly $k_z$-dependent band gap with a minimum at the Brillouin zone center, in agreement with their semiconducting properties. Despite the half-filling of the electronic 3$d$ shell, we show that the band structure in these materials is almost not renormalized from the Kohn-Sham bands of density functional theory. Our photon energy dependent study provi…
Angle-resolved photoelectron spectroscopy, supplemented by theoretical calculations has been applied to study the electronic structure of heavy-fermion material CeFePO, a homologue to the Fe-based high-temperature superconductors, and CeFeAs_0.7P_0.3O, where the applied chemical pressure results in a ferromagnetic order of the 4f moments. A comparative analysis reveals characteristic differences in the Fe-derived band structure for these materials, implying a rather different hybridization of valence electrons to the localized 4f orbitals. In particular, our results suggest that the ferromagne…
We present a soft X-ray angle-resolved photoemission spectroscopy (SX-ARPES) study of the stoichiometric pnictide superconductor LaRu2P2. The observed electronic structure is in good agreement with density functional theory (DFT) calculations. However, it is significantly different from its counterpart in high-temperature superconducting Fe-pnictides. In particular the bandwidth renormalization present in the Fe-pnictides (~2 - 3) is negligible in LaRu2P2 even though the mass enhancement is similar in both systems. Our results suggest that the superconductivity in LaRu2P2 has a different origi…
We present the results of extended theoretical LDA+DMFT calculations for a new iron-pnictide high temperature superconductor NaFeAs compared with the recent high quality angle-resolved photoemission (ARPES) experiments on this system [1]. The universal manifestation of correlation effects in iron-pnictides is narrowing of conducting bands near the Fermi level. Our calculations demonstrate that for NaFeAs the effective mass is renormalized on average by a factor of the order of 3, in good agreement with ARPES data. This is essentially due to correlation effects on Fe-3d orbitals only and no add…
We review the search for a mediator of high-Tc superconductivity focusing on ARPES experiment. In case of HTSC cuprates, we summarize and discuss a consistent view of electronic interactions that provides natural explanation of both the origin of the pseudogap state and the mechanism for high temperature superconductivity. Within this scenario, the spin-fluctuations play a decisive role in formation of the fermionic excitation spectrum in the normal state and are sufficient to explain the high transition temperatures to the superconducting state while the pseudogap phenomenon is a consequence …
Low energy electron diffraction (LEED) experiments, LEED simulations and finite slab density functional calculations are combined to study the cleavage surface of Co doped BaFe_{2-x}Co_{x}As_{2} (x = 0.1, 0.17). We demonstrate that the energy dependence of the LEED data can only be understood from a terminating 1/2 Ba layer accompanied by distortions of the underlying As-Fe_2-As block. As a result, surface related Fe 3d states are present in the electronic structure, which we identify in angle resolved photoemission experiments. The close proximity of the surface-related states to the bulk ban…
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…
We analyze the interplay between the absence or presence of the nodes in the superconducting gap along electron Fermi surfaces (FSs) in Fe-pnictides, and 2Delta/T_c along hole FSs, measured by ARPES. We solve the set of coupled gap equations for 4-band and 5-band models of Fe-pnictides and relate the presence of the nodes to 2Δ/T_c being below a certain threshold. Using ARPES data for 2Δ/T_c, we find that optimally doped (BaK)Fe_2As_2 and Ba(FeCo)_2As_2 and likely nodeless, but iso-valent BaFe_2(AsP)_2 likely has nodes.
Using cluster-perturbation theory, we calculate the spectral density A(k,w) for a nematic phase of models describing pnictide superconductors, where very short-range magnetic correlations choose the ordering vector (pi,0) over the equivalent (0,pi) and thus break the fourfold rotation symmetry of the underlying lattice without inducing long-range magnetic order. In excellent agreement with angle resolved photo-emission spectroscopy (ARPES), we find that the yz bands at X move to higher energies. When onsite Coulomb repulsion brings the system close to a spin--density-wave (SDW) and renormalize…
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 have conducted a comprehensive angle-resolved photoemission study on the normal state electronic structure of the Fe-based superconductor Ba$_{0.6}$K$_{0.4}$Fe$_2$As$_2$. We have identified four dispersive bands which cross the Fermi level and form two hole-like Fermi surfaces around $Γ$ and two electron-like Fermi surfaces around M. There are two nearly nested Fermi surface pockets connected by an antiferromagnetic ($π$, $π$) wavevector. The observed Fermi surfaces show small $k_z$ dispersion and a total volume consistent with Luttinger theorem. Compared to band structure calculations, the…
Despite many ARPES investigations of iron pnictides, the structure of the electron pockets is still poorly understood. By combining ARPES measurements in different experimental configurations, we clearly resolve their elliptic shape. Comparison with band calculation identify a deep electron band with the dxy orbital and a shallow electron band along the perpendicular ellipse axis with the dxz/dyz orbitals. We find that, for both electron and hole bands, the lifetimes associated with dxy are longer than for dxz/dyz. This suggests that the two types of orbitals play different roles in the electr…
We performed model calculations of Raman responses for multiband 2D superconductors. The multiband effects of screening in the A_{1g} symmetry channel were investigated analytically and numerically for a band structure model mimicing ARPES data on iron-pnictide materials. An acceptable agreement between our model calculations and recent experimental data is demonstrated by modification of the band structure parameters.
The two-orbital J1-J2 model that describes a square lattice of frustrated spin-1 iron atoms is analyzed within the linear spin-wave approximation and by exact diagonalization over a 4x4 cluster. A quantum critical point (QCP) is identified that separates hidden magnetic order at weak Hund's rule coupling from a commensurate spins density wave (cSDW) at strong Hund's rule coupling. Although the moment for cSDW order is small at the QCP, the critical linear spin-wave spectrum shows strong low-energy excitations centered at the wavenumbers that correspond to cSDW order. These disperse anisotropic…
The interplay of high and low-energy mass renormalizations with band-shifts reflected by the positions of van Hove singularities (VHS) in the normal state spectra of the highest hole-overdoped and strongly correlated AFe$_2$As$_2$ (A122) with A = K, Cs is discussed phenomenologically based on ARPES data and GGA band-structure calculations with full spin-orbit coupling. The big increase of the Sommerfeld coefficient $γ$ from K122 to Cs122 is ascribed to an enhanced coupling to low-energy bosons in the vicinity of a quantum critical point to an unknown, yet incommensurate phase different from th…
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 perform an analysis of the experimentally known temperature dependence of the staggered magnetization in the antiferromagnetic phase. This analysis allows us to put an upper limit on the unknown value of the spin wave velocity along the stripes of equal spin direction (spin stripes). The velocity is about ten times smaller than the velocity perpendicular to the spin stripes. The strongly anisotropic spin-wave dispersion implies a high density of low energy magnetic excitations. We demonstrate that this high density strongly enhances the $^{75}$As NMR spin-lattice relaxation via the Raman sc…
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 have performed an angle-resolved photoemission spectroscopy (ARPES) study of the undoped and electron-doped iron pnictides BaFe2\_{-x}CoxAs2 (Ba122) (x=0, 0.14) and studied the Fermi surfaces (FSs) and band dispersions near the Fermi level. The FS sheets we observed are consistent with the shrinkage of the hole-like pockets around the Brillouin Zone (BZ) center and the expansion of the electron pockets around the BZ corner in the electron-doped compound as compared to the undoped parent compound. Band dispersions and FSs around the BZ center strongly depend on the photon energy, indicating …
We propose that propagating one-dimensional Majorana fermions will develop in the vortex cores of certain iron-based superconductors, most notably Li(Fe$_{1-x}$Co$_x$)As. A key ingredient of this proposal are the 3D Dirac cones recently observed in ARPES experiments [P. Zhang et al., Nat. Phys. $\textbf{15}$, 41 (2019)]. Using an effective Hamiltonian around the $Γ-Z$ line we demonstrate the development of gapless one-dimensional helical Majorana modes, protected by $C_4$ symmetry. A topological index is derived which links the helical Majorana modes to the presence of monopoles in the Berry c…
Recent nuclear magnetic resonance (NMR) measurements revealed the coexistence of stripe-type antiferromagnetic (AFM) and ferromagnetic (FM) spin correlations in both the hole- and electron-doped BaFe$_2$As$_2$ families of iron-pnictide superconductors by a Korringa ratio analysis. Motivated by the NMR work, we investigate the possible existence of FM fluctuations in another iron pnictide superconducting family, Ca(Fe$_{1-x}$Co$_x$)$_2$As$_2$. We re-analyzed our previously reported data in terms of the Korringa ratio and found clear evidence for the coexistence of stripe-type AFM and FM spin co…
Superconductivity in iron pnictides is studied by using a two-orbital Hubbard model in the large U limit. The Coulomb repulsion induces an orbital-dependent pairing between charge carriers. The pairing is found mainly from the scattering within the same Fermi pocket. The inter-pocket pair scatterings determine the symmetry of the superconductivity, which is extended s-wave at small Hund's coupling, and d-wave at large Hund's coupling and large U. The former is consistent with recent experiments of ARPES and Andreev reflection spectroscope.
The puzzling nature of magnetic and lattice phase transitions of iron pnictides is investigated via a first-principles Wannier function analysis of representative parent compound LaOFeAs. A rare ferro-orbital ordering is found to give rise to the recently observed highly anisotropic magnetic coupling, and drive the phase transitions--without resorting to widely employed frustration or nesting picture. The revealed necessity of the additional orbital physics leads to a correlated electronic structure fundamentally distinct from that of the cuprates. In particular, the strong coupling to the mag…
The interplay of structural and electronic phases in iron-based superconductors is a central theme in the search for the superconducting pairing mechanism. While electronic nematicity, defined as the breaking of four-fold symmetry triggered by electronic degrees of freedom, is competing with superconductivity, the effect of purely structural orthorhombic order is unexplored. Here, using x-ray diffraction (XRD), we reveal a new structural orthorhombic phase with an exceptionally high onset temperature ($T_\mathrm{ort} \sim 250$ K), which coexists with superconductivity ($T_\mathrm{c} = 25$ K), …
The magnetic excitations of the iron pnictides are explained within a degenerate double-exchange model. The local-moment spins are coupled by superexchanges $J_1$ and $J_2$ between nearest and next-nearest neighbors, respectively, and interact with the itinerant electrons of the degenerate $d_{xz}$ and $d_{yz}$ orbitals via a ferromagnetic Hund exchange. The latter stabilizes $(π,0)$ stripe antiferromagnetism due to emergent ferro-orbital order and the resulting kinetic energy gain by hopping preferably along the ferromagnetic spin direction. Taking the quantum nature of the spins into account…
In this paper we provide a comprehesive analysis of different properties of pnictides both in the normal and superconducting state, with a particular focus on the optimally-doped Ba$_{1-x}$K$_{x}$Fe$_2$As$_2$ system. We show that, by using the band dispersions experimentally measured by ARPES, a four-band Eliashberg model in the intermediate-coupling regime can account for both the measured hierarchy of the gaps and for several spectroscopic and thermodynamic signatures of low-energy renormalization. These include the kinks in the band dispersion and the effective masses determined via specifi…
In a wide variety of materials, such as copper oxides, heavy fermions, organic salts, and the recently discovered iron pnictides, superconductivity is found in close proximity to a magnetically ordered state. The character of the proximate magnetic phase is thus believed to be crucial for understanding the differences between the various families of unconventional superconductors and the mechanism of superconductivity. Unlike the AFM order in cuprates, the nature of the magnetism and of the underlying electronic state in the iron pnictide superconductors is not well understood. Neither density…
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…
A brief overview of the superconducting energy gap studies on 122-type family of iron pnictides is given. It seems that the situation in the hole-doped Ba1-xKxFe2As2 is well resolved. Most of the measurements including the presented here point-contact Andreev reflection spectra agree on existence of multiple nodeless gaps in the excitation spectrum of this multiband system. The gaps have basically two sizes - the small one with a strength up to the BCS weak coupling limit and the large one with a very strong coupling with 2Delta/kTc ~ 6 - 8. In the electron doped Ba(Fe1-xCox)2As2 the most of t…
In europium-based iron pnictides superconducting Fe-planes can be influenced by a Zeeman field originated from the neighboring Eu-planes. The field tends to induce spin-density waves with a ferromagnetic average which coexists with the superconducting order by forming complementary patterns of the superconducting and magnetic order parameters in a Fulde-Ferrell-Larkin-Ovchinnikov phase and a two-dimensional textured-superconducting phase. The hard gap around the Fermi energy disappears in these fragile inhomogeneous superconducting states, which features, instead, V-shaped spin-resolved local …
The effects of electron-electron correlations on the low-energy electronic structure and their relationship with unconventional superconductivity are central aspects in the research on the iron-based pnictide superconductors. Here we use soft X-ray angle-resolved photoemission spectroscopy (SX-ARPES) to study how electronic correlations evolve in different chemically substituted iron pnictides. We find that correlations are intrinsically related to the effective filling of the correlated orbitals, rather than to the filling obtained by valence counting. Combined density functional theory (DFT)…
Ferromagnetism and superconductivity are antagonistic phenomena. Their coexistence implies either a modulated ferromagnetic order parameter on a lengthscale shorter than the superconducting coherence length or a weak exchange coupling between the itinerant superconducting electrons and the localized ordered spins. In some iron based pnictide superconductors the coexistence of ferromagnetism and superconductivity has been clearly demonstrated. The nature of the coexistence, however, remains elusive since no clear understanding of the spin structure in the superconducting state has been reached …
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…
The main driven force of the electronic nematic phase in iron-based superconductors is still under debate. Here, we report a comprehensive study on the nematic fluctuations in a non-superconducting iron pnictide system BaFe$_{1.9-x}$Ni$_{0.1}$Cr$_{x}$As$_{2}$ by electronic transport, angle-resolved photoemission spectroscopy (ARPES) and inelastic neutron scattering (INS) measurements. Previous neutron diffraction and transport measurements suggested that the collinear antiferromagnetism persists to $x=0.8$, with similar Néel temperature $T_N$ and structural transition temperature $T_s$ around …
We have performed angle-resolved photoemission spectroscopy of Co-based boride superconductor LaCo1.73Fe0.27B2 (Tc = 4.1 K), which is isostructural to the 122-type Fe-pnictide superconductor with the pnictogen atom being replaced with boron. We found that the Fermi level is located at a dip in the density of states (DOS) in contrast to Co-pnictide ferromagnets. This reduction in DOS together with the strong Co 3d-B 2p covalent bonding removes the ferromagnetic order and may cause the superconductivity. The energy bands near the Fermi level show higher three dimensionality and a weaker electron…
We systematically investigate temperature- and spectrally-dependent optical reflectivity dynamics in AAs$_{2}$Fe$_{2}$, (A=Ba, Sr and Eu), iron-based superconductors parent spin-density-wave (SDW) compounds. Two different relaxation processes are identified. The behavior of the slower process, which is strongly sensitive to the magneto-structural transition, is analyzed in the framework of the relaxation-bottleneck model involving magnons. The results are compared to recent time resolved angular photoemission results (TR-ARPES) and possible alternative assignment of the slower relaxation to th…
Using angle resolved photoemission it is shown that the low lying electronic states of the iron pnictide parent compound EuFe$_2$As$_2$ are strongly modified in the magnetically ordered, low temperature, orthorhombic state compared to the tetragonal, paramagnetic case above the spin density wave transition temperature. Back-folded bands, reflected in the orthorhombic/ anti-ferromagnetic Brillouin zone boundary hybridize strongly with the non-folded states, leading to the opening of energy gaps. As a direct consequence, the large Fermi surfaces of the tetragonal phase fragment, the low temperat…
Iron-based superconductors have been found to exhibit an intimate interplay of orbital, spin, and lattice degrees of freedom, dramatically affecting their low-energy electronic properties, including superconductivity. Albeit the precise pairing mechanism remains unidentified, several candidate interactions have been suggested to mediate the superconducting pairing, both in the orbital and in the spin channel. Here, we employ optical spectroscopy (OS), angle-resolved photoemission spectroscopy (ARPES), ab initio band-structure, and Eliashberg calculations to show that nearly optimally doped NaF…
Amongst the iron-based superconductors, LiFeAs is unrivalled in the simplicity of its crystal structure and phase diagram. However, our understanding of this canonical compound suffers from conflict between mutually incompatible descriptions of the material's electronic structure, as derived from contradictory interpretations of the photoemission record. Here, we explore the challenge of interpretation in such experiments. By combining comprehensive photon energy- and polarization- dependent angle-resolved photoemission spectroscopy (ARPES) measurements with numerical simulations, we establish…
The electronic states and superconductivity in iron pnictides are studied on the basis of the 16 band $d$-$p$ model which includes both the onsite Coulomb interaction between Fe $d$ electrons and the intersite one between Fe $d$ and pnictogen $p$ electrons. The model well accounts for experimentally observed two fluctuations: the $d$-$d$ interaction-enhanced antiferromagnetic (AFM) fluctuation and the $d$-$p$ interaction-enhanced ferro-orbital (FO) fluctuation responsible for the $C_{66}$ elastic softening. The AFM fluctuation induces the repulsive pairing interaction for $\bm{q}\sim \bm{Q}_{\…
We report the first photoemission study of Fe$_{1+x}$Te - the host compound of the newly discovered iron-chalcogenide superconductors (maximum T$_c$ $\sim$ 27K). Our results reveal a pair of nearly electron-hole compensated Fermi pockets, strong Fermi velocity renormalization and an absence of a spin-density-wave gap. A shadow hole pocket is observed at the X-point of the Brillouin zone which is consistent with a long-range ordered magneto-structural groundstate. No signature of Fermi surface nesting instability associated with Q=($π$/2, $π$/2) is observed. Our results collectively reveal that…
Using resistivity, heat-capacity, thermal-expansion, and susceptibility measurements we study the normal-state behavior of KFe2As2. We find that both the Sommerfeld coefficient gamma = 103 mJ mol-1 K-2 and the Pauli susceptibility chi = 4x10-4 are strongly enhanced, which confirm the existence of heavy quasiparticles inferred from previous de Haas-van Alphen and ARPES experiments. We discuss this large enhancement using a Gutzwiller slave-boson mean-field calculation, which reveals the proximity of KFe2As2 to an orbital-selective Mott transition. The temperature dependence of the magnetic susc…
The multiband nature of iron-pnictide superconductors is one of the keys to the understanding of their intriguing behavior. The electronic and magnetic properties heavily rely on the multiband interactions between different electron and hole pockets near the Fermi level. At the fundamental level, though many theoretical models were constructed on the basis of the so-called 1-Fe Brillouin zone (BZ) with an emphasis of the basic square lattice of iron atoms, most electronic structure measurements were interpreted in the 2-Fe BZ. Whether the 1-Fe BZ is valid in a real system is still an open ques…
In several members of the ferro-pnictides, spin density wave (SDW) order coexists with superconductivity over a range of dopings. In this letter we study the anomalous magnetic Zeeman response of this coexistence state and show that it can be used to confirm the extended s-wave gap structure as well as structure of superconducting (SC) gap in coexisting phase. On increasing the field, a strongly anisotropic reduction of SC gap is found. The anisotropy is directly connected to the gap structure of superconducting phase. The signature of this effect in quasiparticle interference measured by STM,…
Electronic Origin of Ferromagnetic Excitations in the Candidate Spin-Triplet Superconductor CeSb2
Shanghai Research Center for Quantum Sciences（上海量子科学研究中心）；Fudan University（复旦大学）；Chinese Academy of Sciences（中国科学院）；University of Science and Technology of China（中国科学技术大学）
Like high Tc cuprates, the newly discovered iron based superconductors lie in close proximity to a magnetically ordered parent phase. However, while the magnetic order in parent cuprates is known to derive from a spin-spin local superexchange interaction, a plethora of experiments including neutron scattering have so far been unable to conclusively resolve whether a local moment Heisenberg description applies in parent iron based compounds, or whether magnetism arises from a collective SDW order instability. These two alternatives can in principle be distinguished by measuring the low energy m…
Using general arguments of an optimization taking place between the pair wave function and the repulsive part of the electron-electron interaction, we analyze the superconducting gap in materials with multiple Fermi-surface (FS) pockets, with exemplary application to two proto-type ferropnictide setups. On the basis of functional renormalization group (FRG) calculations for a wide parameter span of the bare interactions, we show that the symmetry of the gap and the nodal versus nodeless behavior is driven by this optimization requirement.
The doping dependence of spin excitations in Ba(Fe$_{1-x}$Co$_{x}$)$_{2}$As$_{2}$ is studied based on a two-orbital model under RPA approximation. The interplay between the spin-density-wave (SDW) and superconductivity (SC) is considered in our calculation. Our results for the spin susceptibility are in good agreement with neutron scattering (NS) experiments in various doping ranges at temperatures (T) above and below the superconducting transition temperature T$_{c}$. For the overdoped sample where one of the two hole pockets around $Γ$ point disappears according to ARPES, we show that the im…
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 …
We use angle-resolved photoemission spectroscopy (ARPES) to study the electronic properties of CaFe2As2 - parent compound of a pnictide superconductor. We find that the structural and magnetic transition is accompanied by a three- to two-dimensional (3D-2D) crossover in the electronic structure. Above the transition temperature (Ts) Fermi surfaces around Gamma and X points are cylindrical and quasi-2D. Below Ts the former becomes a 3D ellipsoid, while the latter remains quasi-2D. This finding strongly suggests that low dimensionality plays an important role in understanding the superconducting…
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…
In the limit of perfect nesting, the physics of iron-pnictides is governed by the density wave formation at the zone-edge vector M. At high energies, various spin- (SDW), charge- (CDW), orbital/pocket- (PDW) density waves, and their linear combinations, all appear equally likely, unified within the unitary order parameter of U(4)XU(4) symmetry. Nesting imperfections and low-energy interactions reduce this symmetry to that of real materials. Nevertheless, the generic ground state preserves a distinct signature of its highly symmetric origins: a SDW along one axis of the iron lattice is predicte…
We report neutron scattering measurements of single-crystalline YFe$_2$Ge$_2$ in the normal state, which has the same crystal structure to the 122 family of iron pnictide superconductors. YFe$_2$Ge$_2$ does not exhibit long range magnetic order, but exhibits strong spin fluctuations. Like the iron pnictides, YFe$_2$Ge$_2$ displays anisotropic stripe-type antiferromagnetic spin fluctuations at ($π$, $0$, $π$). More interesting, however, is the observation of strong spin fluctuations at the in-plane ferromagnetic wavevector ($0$, $0$, $π$). These ferromagnetic spin fluctuations are isotropic in …
Angle-resolved photoemission spectroscopy (ARPES) is used to study the band dispersion and the quasiparticle scattering rates in two ferropnictides systems. Our ARPES results show linear-in-energy dependent scattering rates which are constant in a wide range of control parameter and which depend on the orbital character of the bands. We demonstrate that the linear energy dependence gives rise to weakly dispersing band with a strong mass enhancement when the band maximum crosses the chemical potential. In the superconducting phase the related small effective Fermi energy favors a Bardeen-Cooper…
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 calculate the expected finite frequency neutron scattering intensity based on the two-sublattice collinear antiferromagnet found by recent neutron scattering experiments as well as by theoretical analysis on the iron oxypnictide LaOFeAs. We consider two types of superexchange couplings between Fe atoms: nearest-neighbor coupling J1 and next-nearest-neighbor coupling J2. We show how to distinguish experimentally between ferromagnetic and antiferromagnetic J1. Whereas magnetic excitations in the cuprates display a so-called resonance peak at (pi,pi) (corresponding to a saddlepoint in the magn…
Ultrasonic measurements have been carried out to investigate the critical dynamics of structural and superconducting transitions due to degenerate orbital bands in iron pnictide compounds with the formula Ba(Fe$_{1-x}$Co$_x$)$_2$As$_2$. The attenuation coefficient $α_{\mathrm{L}[110]}$ of the longitudinal ultrasonic wave for $(C_{11}+C_{12}+2C_{66})/2$ for $x = 0.036$ reveals the critical slowing down of the relaxation time around the structural transition at $T_\mathrm{s} = 65$ K, which is caused by ferro-type ordering of the quadrupole $O_{x'^2-y'^2}$ coupled to the strain $\varepsilon_{xy}$…
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…
