Observation of the weak electronic correlations in KFeCoAs2 (3d 6): an isoelectronic to the parent compounds of 122 series of iron pnictides BaFe2As2.

Using the angle-resolved photoemission spectroscopy and band structure calculations we study the electronic structure of KFeCoAs2, which is isoelectronic to the parent material of 122 series of iron-based superconductors BaFe2As2. Although band structure calculations predict nearly identical dispersions of the electronic states in both compounds, experiment reveals drastic differences in both the global renormalization and Fermi surfaces. On the basis of the comparison of electronic structures of these two isoelectronic compounds, we demonstrate local magnetic correlations as a vital role for the peculiar low-energy electron dynamics of iron-based superconductors.

Effect of nematic ordering on electronic structure of FeSe.

Electronically driven nematic order is often considered as an essential ingredient of high-temperature superconductivity. Its elusive nature in iron-based superconductors resulted in a controversy not only as regards its origin but also as to the degree of its influence on the electronic structure even in the simplest representative material FeSe. Here we utilized angle-resolved photoemission spectroscopy and density functional theory calculations to study the influence of the nematic order on the electronic structure of FeSe and determine its exact energy and momentum scales. Our results strongly suggest that the nematicity in FeSe is electronically driven, we resolve the recent controversy and provide the necessary quantitative experimental basis for a successful theory of superconductivity in iron-based materials which takes into account both, spin-orbit interaction and electronic nematicity.

Weak-coupling superconductivity in a strongly correlated iron pnictide.

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 NaFe0.978Co0.022As exhibits some of the strongest orbitally selective electronic correlations in the family of iron pnictides. Unexpectedly, we find that the mass enhancement of itinerant charge carriers in the strongly correlated band is dramatically reduced near the Γ point and attribute this effect to orbital mixing induced by pronounced spin-orbit coupling. Embracing the true band structure allows us to describe all low-energy electronic properties obtained in our experiments with remarkable consistency and demonstrate that superconductivity in this material is rather weak and mediated by spin fluctuations.

High-temperature superconductivity from fine-tuning of Fermi-surface singularities in iron oxypnictides.

In the family of the iron-based superconductors, the REFeAsO-type compounds (with RE being a rare-earth metal) exhibit the highest bulk superconducting transition temperatures (Tc) up to 55 K and thus hold the key to the elusive pairing mechanism. Recently, it has been demonstrated that the intrinsic electronic structure of SmFe0.92Co0.08AsO (Tc = 18 K) is highly nontrivial and consists of multiple band-edge singularities in close proximity to the Fermi level. However, it remains unclear whether these singularities are generic to the REFeAsO-type materials and if so, whether their exact topology is responsible for the aforementioned record Tc. In this work, we use angle-resolved photoemission spectroscopy (ARPES) to investigate the inherent electronic structure of the NdFeAsO0.6F0.4 compound with a twice higher Tc = 38 K. We find a similarly singular Fermi surface and further demonstrate that the dramatic enhancement of superconductivity in this compound correlates closely with the fine-tuning of one of the band-edge singularities to within a fraction of the superconducting energy gap Δ below the Fermi level. Our results provide compelling evidence that the band-structure singularities near the Fermi level in the iron-based superconductors must be explicitly accounted for in any attempt to understand the mechanism of superconducting pairing in these materials.

Orbital characters and electronic correlations in KCo2Se2.

We report a comprehensive study of the tridimensional nature and orbital characters of the low-energy electronic structure in KCo2Se2, using polarization- and photon energy-dependent angle-resolved photoemission spectroscopy. We observed one electron-like Fermi surface (FS) at the Brillouin zone (BZ) center, four electron-like FSs centered at the BZ corner, and one hole-like FS at the BZ boundary. The FSs show weak dispersion along the kz direction, indicating the near-two-dimensional nature of FSs in KCo2Se2. In combination with the local-density approximation calculations, we determined the orbital characters of the low-energy electronic bands, which are mainly derived from the Co 3d orbital, mixed with part of the Se 4p states. The [Formula: see text] orbital gives a significant contribution to the band crossing the Fermi level. A band renormalization of about 1.6 is needed to capture the essential dispersive features, which suggests that electronic correlations are much weaker than that in KyFe2-xSe2.

Interaction-induced singular Fermi surface in a high-temperature oxypnictide superconductor.

In the family of iron-based superconductors, LaFeAsO-type materials possess the simplest electronic structure due to their pronounced two-dimensionality. And yet they host superconductivity with the highest transition temperature Tc ≈ 55K. Early theoretical predictions of their electronic structure revealed multiple large circular portions of the Fermi surface with a very good geometrical overlap (nesting), believed to enhance the pairing interaction and thus superconductivity. The prevalence of such large circular features in the Fermi surface has since been associated with many other iron-based compounds and has grown to be generally accepted in the field. In this work we show that a prototypical compound of the 1111-type, SmFe(0.92)Co(0.08)AsO , is at odds with this description and possesses a distinctly different Fermi surface, which consists of two singular constructs formed by the edges of several bands, pulled to the Fermi level from the depths of the theoretically predicted band structure by strong electronic interactions. Such singularities dramatically affect the low-energy electronic properties of the material, including superconductivity. We further argue that occurrence of these singularities correlates with the maximum superconducting transition temperature attainable in each material class over the entire family of iron-based superconductors.

Direct observation of the spin texture in SmB6 as evidence of the topological Kondo insulator.

Topological Kondo insulators have been proposed as a new class of topological insulators in which non-trivial surface states reside in the bulk Kondo band gap at low temperature due to strong spin-orbit coupling. In contrast to other three-dimensional topological insulators, a topological Kondo insulator is truly bulk insulating. Furthermore, strong electron correlations are present in the system, which may interact with the novel topological phase. By applying spin- and angle-resolved photoemission spectroscopy, here we show that the surface states of SmB6 are spin polarized. The spin is locked to the crystal momentum, fulfilling time reversal and crystal symmetries. Our results provide strong evidence that SmB6 can host topological surface states in a bulk insulating gap stemming from the Kondo effect, which can serve as an ideal platform for investigating of the interplay between novel topological quantum states with emergent effects and competing orders induced by strongly correlated electrons.

Quasi one dimensional Dirac electrons on the surface of Ru2Sn3.

We present an ARPES study of the surface states of Ru2Sn3, a new type of a strong 3D topological insulator (TI). In contrast to currently known 3D TIs, which display two-dimensional Dirac cones with linear isotropic dispersions crossing through one point in the surface Brillouin Zone (SBZ), the surface states on Ru2Sn3 are highly anisotropic, displaying an almost flat dispersion along certain high-symmetry directions. This results in quasi-one dimensional (1D) Dirac electronic states throughout the SBZ that we argue are inherited from features in the bulk electronic structure of Ru2Sn3 where the bulk conduction bands are highly anisotropic. Unlike previous experimentally characterized TIs, the topological surface states of Ru2Sn3 are the result of a d-p band inversion rather than an s-p band inversion. The observed surface states are the topological equivalent to a single 2D Dirac cone at the surface Brillouin zone.

Electronic confinement and ordering instabilities in colossal magnetoresistive bilayer manganites.

We present angle-resolved photoemission studies of (La{1-z}Pr{z}){2-2x}Sr{1+2x}Mn{2}O{7} with x=0.4 and z=0.1, 0.2, and 0.4 along with density functional theory calculations and x-ray scattering data. Our results show that the bilayer splitting in the ferromagnetic metallic phase of these materials is small, if not completely absent. The charge carriers are therefore confined to a single MnO{2} layer, which in turn results in a strongly nested Fermi surface. In addition to this, the spectral function also displays clear signatures of an electronic ordering instability well below the Fermi level. The increase of the corresponding interaction strength with z and its magnitude of ∼400 meV make the coupling to a bare phonon highly unlikely. Instead we conclude that fluctuating order, involving electronic and lattice degrees of freedom, causes the observed renormalization of the spectral features.

Superconductivity without nesting in LiFeAs.

We have studied the electronic structure of the nonmagnetic LiFeAs (T(c)∼18 K) superconductor using angle-resolved photoemission spectroscopy. We find a notable absence of the Fermi surface nesting, strong renormalization of the conduction bands by a factor of 3, high density of states at the Fermi level caused by a van Hove singularity, and no evidence for either a static or a fluctuating order except superconductivity with in-plane isotropic energy gaps. Our observations suggest that these electronic properties capture the majority of ingredients necessary for the superconductivity in iron pnictides.

Weak superconducting pairing and a single isotropic energy gap in stoichiometric LiFeAs.

We report superconducting (SC) properties of stoichiometric LiFeAs (T(c)=17 K) studied by small-angle neutron scattering (SANS) and angle-resolved photoemission (ARPES). Although the vortex lattice exhibits no long-range order, well-defined SANS rocking curves indicate better ordering than in chemically doped 122 compounds. The London penetration depth lambda(ab)(0)=210+/-20 nm, determined from the magnetic field dependence of the form factor, is compared to that calculated from the ARPES band structure with no adjustable parameters. The temperature dependence of lambda(ab) is best described by a single isotropic SC gap Delta(0)=3.0+/-0.2 meV, which agrees with the ARPES value of Delta(0)(ARPES)=3.1+/-0.3 meV and corresponds to the ratio 2Delta/k(B)T(c)=4.1+/-0.3, approaching the weak-coupling limit predicted by the BCS theory. This classifies LiFeAs as a weakly coupled single-gap superconductor.

Bridging charge-orbital ordering and Fermi surface instabilities in half-doped single-layered manganite La(0.5)Sr(1.5)MnO4.

The single-layered half-doped manganite La(0.5)Sr(1.5)MnO4 (LSMO), was studied by means of the angle-resolved photoemission spectroscopy (ARPES), scanning tunneling microscopy (STM), and resistivity measurements. STM revealed a smooth reconstruction-free surface; the density of states, extracted from photoemission and tunneling spectroscopy, is in agreement with transport measurements. The derived from ARPES Fermi surface (FS) nesting properties correspond to the known pattern of the charge-orbital ordering (COO), which implies that FS instability is related to the propensity to form a COO state in LSMO.

Two energy gaps and Fermi-surface "arcs" in NbSe2.

Using angle-resolved photoemission spectroscopy, we report on the direct observation of the energy gap in 2H-NbSe2 caused by the charge-density waves (CDW). The gap opens in the regions of the momentum space connected by the CDW vectors, which implies a nesting mechanism of CDW formation. In remarkable analogy with the pseudogap in cuprates, the detected energy gap also exists in the normal state (T>T0) where it breaks the Fermi surface into "arcs," it is nonmonotonic as a function of temperature with a local minimum at the CDW transition temperature (T0), and it forestalls the superconducting gap by excluding the nested portions of the Fermi surface from participating in superconductivity.

Temperature and doping-dependent renormalization effects of the low energy electronic structure of Ba1-xKxFe2As2 single crystals.

We investigate the low energy electronic structure of Ba1-xKxFe2As2 (x=0; 0.3, T_{c}=32 K) single crystals by angle-resolved photoemission spectroscopy with a focus on the renormalization of the dispersion. A kink feature is detected at E approximately 25 meV for the doped compound which vanishes at T=200 K but stays virtually constant when T_{c} is crossed. Our experimental findings rule out the magnetic resonance mode as the origin of the kink and render conventional electron-phonon coupling unlikely. They put stringent restrictions on the dominant source of the electronic interaction channel.

Electronic structure and nesting-driven enhancement of the RKKY interaction at the magnetic ordering propagation vector in Gd2PdSi3 and Tb2PdSi3.

Measurements of the low-energy electronic structure in Gd2PdSi3 and Tb2PdSi3 by means of angle-resolved photoelectron spectroscopy reveal a Fermi surface consisting of an electron barrel at the Gamma point surrounded by spindle-shaped electron pockets originating from the same band. The calculated momentum-dependent RKKY coupling strength is peaked at the 1/2GammaK wave vector, which coincides with the propagation vector of the low-temperature in-plane magnetic order observed by neutron diffraction, thereby demonstrating the decisive role of the Fermi surface geometry in explaining the complex magnetic ground state of ternary rare earth silicides.

(pi, pi) electronic order in iron arsenide superconductors.

The distribution of valence electrons in metals usually follows the symmetry of the underlying ionic lattice. Modulations of this distribution often occur when those electrons are not stable with respect to a new electronic order, such as spin or charge density waves. Electron density waves have been observed in many families of superconductors, and are often considered to be essential for superconductivity to exist. Recent measurements seem to show that the properties of the iron pnictides are in good agreement with band structure calculations that do not include additional ordering, implying no relation between density waves and superconductivity in these materials. Here we report that the electronic structure of Ba(1-x)K(x)Fe(2)As(2) is in sharp disagreement with those band structure calculations, and instead reveals a reconstruction characterized by a (pi, pi) wavevector. This electronic order coexists with superconductivity and persists up to room temperature (300 K).

Pseudogap-driven sign reversal of the Hall effect.

We present a calculation of the Hall coefficient in 2H-TaSe(2) and 2H-Cu(0.2)NbS(2) based on their electronic structure extracted from angle-resolved photoemission spectra. The well-known semiclassical approach, based on the solution of the Boltzmann equation, yields the correct value for the normal-state Hall coefficient. Entering the charge density wave state results in the opening of the pseudogap and redistribution of the spectral weight. Accounting for this allows us to reproduce the temperature dependence of the Hall coefficient, including the prominent sign change, with no adjustable parameters.

Pseudogap and charge density waves in two dimensions.

Using angle-resolved photoemission spectroscopy we demonstrate that a normal-state pseudogap exists above T(N-IC) in one of the most studied two-dimensional charge-density wave (CDW) dichalcogenides 2H-TaSe(2). The initial formation of the incommensurate CDW is confirmed as being driven by a conventional nesting instability, which is marked by a pseudogap. The magnitude, character, and anisotropy of the 2D-CDW pseudogap bear considerable resemblance to those seen in superconducting cuprates.

Anomalous quasiparticle renormalization in Na0.73CoO2: role of interorbital interactions and magnetic correlations.

We report an angular resolved photoemission study of NaxCoO2 with x approximately 0.73 where it is found that the renormalization of the quasiparticle (QP) dispersion changes dramatically upon a rotation from GammaM to GammaK. The comparison of the experimental data to the calculated band structure reveals that the quasiparticle renormalization is most pronounced along the GammaK direction, while it is significantly weaker along the GammaM direction. We discuss the observed anisotropy in terms of multiorbital effects and point out the relevance of magnetic correlations for the band structure of NaxCoO2 with x approximately 0.75.

Momentum and energy dependence of the anomalous high-energy dispersion in the electronic structure of high temperature superconductors.

Using high-resolution angle-resolved photoemission spectroscopy we have studied the momentum and photon energy dependence of the anomalous high-energy dispersion, termed waterfalls, between the Fermi level and 1 eV binding energy in several high-T_{c} superconductors. We observe strong changes of the dispersion between different Brillouin zones and a strong dependence on the photon energy around 75 eV, which we associate with the resonant photoemission at the Cu3p-->3d_{x;{2}-y;{2}} edge. We conclude that the high-energy "waterfall" dispersion results from a strong suppression of the photoemission intensity at the center of the Brillouin zone due to matrix element effects and is, therefore, not an intrinsic feature of the spectral function. This indicates that the new high-energy scale in the electronic structure of cuprates derived from the waterfall-like dispersion may be incorrect.