We investigate the electronic states of a one-dimensional two-orbital Hubbard model with band splitting by the exact diagonalization method. The Luttinger liquid parameter $K_ρ$ is calculated to obtain superconducting (SC) phase diagram as a function of on-site interactions: the intra- and inter-orbital Coulomb $U$ and $U'$, the Hund coupling $J$, and the pair transfer $J'$. In this model, electron and hole Fermi pockets are produced when the Fermi level crosses both the upper and lower orbital bands. We find that the system shows two types of SC phases, the SC \Roman{u'-large} for $U>U'$ and the SC \Roman{u-large} for $U<U'$, in the wide parameter region including both weak and strong correlation regimes. Pairing correlation functions indicate that the most dominant pairing for the SC \Roman{u'-large} (SC \Roman{u-large}) is the intersite (on-site) intraorbital spin-singlet with (without) sign reversal of the order parameters between two Fermi pockets. The result of the SC \Roman{u'-large} is consistent with the sign-reversing s-wave pairing that has recently been proposed for iron oxypnictide superconductors.
The iron-oxypnictide compounds, recently reported as a new class of superconductors when appropriately doped, exhibit large Seebeck coefficients, of the order of -100 microV/K, while keeping good electrical conductivity. Their power factor shows a peak at low temperatures, suggesting possible applications of these materials in thermoelectric cooling modules in the liquid nitrogen temperature range.
We present the first infrared and optical study in the normal state of ab-plane oriented single crystals of the iron-oxypnictide superconductor LaFePO. We find that this material is a low carrier density metal with a moderate level of correlations and exhibits signatures of electron-boson coupling. The data is consistent with the presence of coherent quasiparticles in LaFePO.
We study a four-band model for the iron oxypnictides, in which the superconducting properties are assumed to be determined by the interband coupling between hole-like and electron-like Fermi sheets. We show that reasonable parameters can account for the angle-resolved photoemission spectra showing multiple gaps in Ba$_{1-x}$K$_x$Fe$_2$As$_2$, and for the temperature dependence of the superfluid density. At the same time, the zero-temperature value of the superfluid density shows a conventional scaling with the number of carriers.
The electronic structure in the normal state of CeFeAsO0.89F0.11 oxypnictide superconductors has been investigated with x-ray absorption and photoemission spectroscopy. All the data exhibit signatures of Fe d-electron itinerancy. Exchange multiplets appearing in the Fe 3s core level indicate the presence of itinerant spin fluctuations. These findings suggest that the underlying physics and the origin of superconductivity in these materials are likely to be quite different from those of the cuprate high-temperature superconductors. These materials provide opportunities for elucidating the role …
A new class of high temperature superconductors based on iron and arsenic was recently discovered, with superconducting transition temperature as high as 55 K. Here we show, using microscopic theory, that the normal state of the iron pnictides at high temperatures is highly anomalous, displaying a Curie Weiss susceptibility and a linear temperature dependence of the resistivity. Below a coherence scale T*, the resistivity sharply drops and susceptibility crosses over to Pauli-like temperature dependence. Remarkably, the coherence-incoherence crossover temperature is a very strong function of t…
We report on the synthesis and structural/ microstructural studies of iron based fluorine doped LaOFeAs superconductors. We have successfully synthesized fluorine doped superconducting LaO1-xFxFeAs materials by choosing lower temperature (1150^0C) and longer synthesis duration (60 hours) as compared to the standard values of these employed in the pioneering first contribution [Kamihara et al 2008 J Am Chem Soc 130 3296]. Decrease of lattice parameters as determined by x-ray diffraction confirm the substitution of fluorine. The superconducting transition temperature is 27.5 K which is observed …
The sign-reversing fully gapped superconducting state, which is expected to be realized in oxypnictide superconductors, can be prominently affected by nonmagnetic impurities due to the interband scattering of Cooper pairs. We study this problem based on the isotropic two-band BCS model: In oxypnictide superconductors, the interband impurity scattering $I'$ is not equal to the intraband one $I$. In the Born scattering regime, the reduction in Tc is sizable and the impurity-induced density of states (DOS) is prominent if $I\sim I'$, due to the interband scattering. Although impurity-induced DOS …
We present the first comprehensive derivation of the intrinsic electronic phase diagram of the iron-oxypnictide superconductors in the normal state based on the analysis of the electrical resistivity $ρ$ of both LaFeAsO$_{1-x}$F$_x$ and SmFeAsO$_{1-x}$F$_x$ for a wide range of doping. Our data give clear-cut evidence for unusual normal state properties in these new materials. In particular, the emergence of superconductivity at low doping levels is accompanied by distinct anomalous transport behavior in $ρ$ of the normal state which is reminiscent of the spin density wave (SDW) signature in th…
We report 75As-NQR/NMR studies on the oxygen-deficient iron(Fe)-based oxypnictide superconductors LaFeAsO_{0.6} (T_c=28 K) along with the results on LaFeAsO, LaFeAsO_{0.75}(T_c=20 K) and NdFeAsO_{0.6}(T_c=53 K). Nuclear spin-lattice relaxation rate 1/T_1 of 75As NQR at zero field on LaFeAsO_{0.6} has revealed a T^3 dependence below T_c upon cooling without the coherence peak just below T_c, evidencing the unconventional superconducting state with the line-node gap. We have found an intimate relationship between the nuclear quadrupole frequencyof 75As and T_c for four samples used in this study…
We report systematic $^{75}$As NMR studies on LaFeAs(O$_{1-x}$F$_{x}$) ($0\le x\le0.14$). At $x=0.04$ near the phase boundary, from resistivity, spin-lattice relaxation rate $1/T_1$, and NMR spectrum measurements, we found weak magnetic order at $T_N\simeq 30$ K. Antiferromagnetic (AFM) fluctuations proved through $1/T_1$ are suppressed significantly with F-doping, and pseudogap behavior without pronounced AFM fluctuations is observed at $x=0.11$ where $T_c$ is maximum. This significant suppression of $1/T_1T$ upon F-doping while $T_c$ remains nearly unchanged suggests that low-energy AFM fluc…
Employing the four-band tight-binding model we study theoretically the doping dependence of the spin response in the normal state of novel Fe-based pnictide superconductors. We show that the commensurate spin density wave (SDW) transition that arises due to interband scattering between the hole $α$-pockets and the electron $β$-pockets disappears already at the doping concentration $x \approx 0.04$ reflecting the evolution of the Fermi surfaces. Correspondingly, with further increase of the doping the antiferromagnetic fluctuations are suppressed for $x > 0.1$ and the Im$χ({\bf Q_{AFM}},ω)$ bec…
High-temperature (high-$T_{\rm c}$) superconductivity appears as a consequence of the carrier-doping of an undoped parent compound exhibiting antiferromagnetic order; thereby, ground-state properties of the parent compound are closely relevant to the superconducting state. On the basis of the concept, a spin-fluctuation has been addressed as an origin of pairing of the superconducting electrons in cuprates. Whereas, there is growing interest in the pairing mechanism such as an unconventional spin-fluctuation or an advanced orbital-fluctuation due to the characteristic multi-orbital system in i…
We report systematic 57Fe-NMR and 75As-NMR/NQR studies on an underdoped sample (T_c=20 K), an optimally doped sample (T_c=28 K), and an overdoped sample (T_c=22 K) of oxygen-deficient iron (Fe)-based oxypnictide superconductor LaFeAsO_{1-y}$. A microscopic phase separation between superconducting domains and magnetic domains is shown to take place in the underdoped sample, indicating a local inhomogeneity in association with the density distribution of oxygen deficiencies. As a result, 1/T_1T in the normal state of the superconducting domain decreases significantly upon cooling at both the Fe …
We have successfully prepared the new layered oxypnictides $Sr_4Sc_2O_6M_2As_2$ (M=Fe and Co). They adopt the tetragonal structure, being the same as that of $Sr_4Sc_2O_6Fe_2P_2$. The lattice constants are a=0.4045 nm and c= 0.5802 nm for M=Fe, and a=0.4045 nm and c=1.5695 nm for M=Co, respectively. Their transport and magnetic properties have been systematically studied. The temperature dependence of Hall coefficient and thermoelectric powder for $Sr_4Sc_2O_6Fe_2As_2$ compound show complicated behavior, similar to that of iron-based parent compounds LnOFeAs and $BaFe_2As_2$. It suggests that …
In the family of the iron-based superconductors, the $RE$FeAsO-type compounds (with $RE$ being a rare-earth metal) exhibit the highest bulk superconducting transition temperatures ($T_{\mathrm{c}}$) up to $55\ \textrm{K}$ and thus hold the key to the elusive pairing mechanism. Recently, it has been demonstrated that the intrinsic electronic structure of SmFe$_{0.92}$Co$_{0.08}$AsO ($T_{\mathrm{c}}=18\ \textrm{K}$) 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 th…
A two orbital model for the new Fe-based superconductors is studied using the Lanczos method as well as pairing mean-field approximations. Our main goals are (i) to provide a comprehensive analysis of this model using numerical techniques with focus on half-filling and on the state with two more electrons than half-filling and (ii) to investigate the nodal structure of the mean-field superconducting state and compare the results with angle-resolved photoemission data. In particular, we provide evidence that at half-filling spin 'stripes', as observed experimentally, dominate over competing sta…
We consider the role played by the 4f states in the rare-earth oxyarsenides REOFeAs (RE=Ce,Pr,Nd) and the oxyphosphate CeOFeP, using a first-principles technique that combines the local density approximation and dynamical mean-field theory (LDA+DMFT). In the Pr and Nd compounds, the 4f states are located well below and above the Fermi level E_F, and essentially do not interact with the iron 3d bands located near E_F, resulting in local moment behavior. In the Ce compounds, our results reveal a qualitatively different picture, with the 3d-4f hybridization being sufficiently strong to give rise …
Understanding the role played by broken symmetry states such as charge, spin, and orbital orders in the mechanism of emergent properties such as high-temperature superconductivity (HTSC) is a major current topic in materials research. That the order may be within one unit cell, such as nematic, was only recently considered theoretically, but its observation in the iron-pnictide and doped cuprate superconductors places it at the forefront of current research. Here we show that the recently discovered BaTi$_2$Sb$_2$O superconductor and its "parent" compound BaTi$_2$As$_2$O form a symmetry-breaki…
We have performed ^{31}P-NMR measurements on Ce(Ru_{1-x}Fe_{x})PO in order to investigate ferromagnetic (FM) quantum criticality, since heavy-fermion (HF) ferromagnet CeRuPO with a two-dimensional structure turns to a HF paramagnet by an isovalent Fe-substitution for Ru. We found that Ce(Ru_{0.15}Fe_{0.85})PO shows critical fluctuations down to \sim 0.3 K, as well as the continuous suppression of Curie temperature and the ordered moments by the Fe-substitution. These experimental results suggest the presence of a FM quantum critical point (QCP) at x \sim 0.86, which is a rare example among iti…
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-base…
The magnetism of the second antiferromagnetic phase (AF2) arising in the iron-based LaFeAsO$_{1-x}$H$_{x}$ superconductor for $x\gtrsim0.4$ was investigated by muon spin rotation measurements under hydrostatic pressure up to 2.6 GPa. The Néel temperature ($T_{\rm N}$) obtained for a sample with $x=0.51$ exhibits considerably greater sensitivity to pressure than that in the pristine antiferromagnetic phase (AF1, $x\lesssim0.06$). Moreover, while the AF1 phase is always accompanied by the structural transition (from tetragonal to orthorhombic) at a temperature ($T_{\rm s}$) which is slightly hig…
The Fermi surface pockets that lie at the corner of the two-iron Brillouin zone in heavily electron-doped iron selenide superconductors are accounted for by an extended Hubbard model over the square lattice of iron atoms that includes the principal 3d xz and 3d yz orbitals. At half filling, and in the absence of intra-orbital next-nearest neighbor hopping, perfect nesting between electron-type and hole-type Fermi surfaces at the the center and at the corner of the one-iron Brillouin zone is revealed. It results in hidden magnetic order in the presence of magnetic frustration within mean field …
The origin of the high temperature superconductivity in the iron-based superconductors remains elusive after being extensively studied for more than a decade. Determination of the pairing symmetry is essential in understanding the superconductivity mechanism. In the iron-based superconductors that have hole pockets around the Brillouin zone center and electron pockets around the zone corners, the pairing symmetry is generally considered to be s$_\pm$, endowing a sign change in the superconducting gap between the hole and electron pockets. For the iron-based superconductors with only hole pocke…
In iron selenide superconductors only electron-like Fermi pockets survive, challenging the $S^{\pm}$ pairing based on the quasi-nesting between the electron and hole Fermi pockets (as in iron arsenides). By functional renormalization group study we show that an in-phase $S$-wave pairing on the electron pockets ($S^{++}_{ee}$) is realized. The pairing mechanism involves two competing driving forces: The strong C-type spin fluctuations cause attractive pair scattering between and within electron pockets via Cooperon excitations on the virtual hole pockets, while the G-type spin fluctuations caus…
We report the results of the parquet renormalization group (RG) analysis of the phase diagram of the most general 5-pocket model for Fe-based superconductors. We use as an input the orbital structure of excitations near the five pockets made out of $d_{xz}$, $d_{yz}$, and $d_{xy}$ orbitals and argue that there are 40 different interactions between low-energy fermions in the orbital basis. All interactions flow under RG, as one progressively integrates out fermions with higher energies. We find that the low-energy behavior is amazingly simple, despite the large number of interactions. Namely, a…
The iron oxyarsenide TbFeAsO0.85 was synthesized by a high-pressure method. A high-quality polycrystalline sample was obtained and characterized by measurements of magnetic susceptibility and electrical resistivity. Bulk superconductivity with Tc of 42 K was clearly established without an F doping usually conducted to tune on superconductivity in the iron oxypnictide.
We perform an analytical renormalization group (RG) study to address the role of Coulomb repulsion, the competition between extended s-wave superconducting order (s+-) and the spin-density wave (SDW) order and the angular dependence of the superconducting gap in multi-pocket models of Iron based superconductors. Previous analytic RG studies considered a toy model of one hole and one electron pocket. We consider more realistic models of two electron pockets and either two or three hole pockets, and also incorporate the angular dependence of interaction. We neglect for simplicity one of the two …
We have performed 31P-NMR measurements of the c-axis-aligned poly-crystal Ce(Ru1-xFex)PO with a two-dimensional layered structure in order to understand the origin of TCurie suppression by Fe substitution. The variation in the magnetic-fluctuation character with respect to x is investigated from the in-plane and out-of plane fluctuations and the relationship between the static spin susceptibility and the in-plane fluctuation. It was found that three-dimensional ferromagnetic (FM) correlations are dominant and give rise to the FM ordering in CeRuPO. The out-of-plane fluctuations are significant…
We discuss the sign change of superconducting order parameters in both real and reciprocal spaces when the odd parity spin singlet pairing proposed recently in\cite{huoddparity} is allowed. We show that in this case an nodeless anti-phase $s^\pm$ can be generated. In a 2-Fe Brilliouin zone (BZ), sign change exists between two hole pockets and between two electron pockets. In a 1-Fe BZ which includes two 2-Fe BZs, the sign change is between two 2-Fe BZs, which leads to a d-wave type sign distribution on the electron pockets, namely, an anti-phase $s^\pm$ state with no symmetry protected gapless…
We report plane-polarized Raman scattering spectra of iron oxypnictide superconductor NdFeAsO$_{1-x}$F$_x$ single crystals with varying fluorine $x$ content. The spectra exhibit sharp and symmetrical phonon lines with a weak dependence on fluorine doping $x$. The temperature dependence does not show any phonon anomaly at the superconducting transition. The Fe related phonon intensity shows a strong resonant enhancement below 2 eV. We associate the resonant enhancement to the presence of an interband transition around 2 eV observed in optical conductivity. Our results point to a rather weak cou…
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…
Berg, Metlitski and Sachdev, Science 338, 1606 (2012), have shown that the exchange of hidden spin fluctuations by conduction electrons with two orbitals can result in high-temperature superconductivity in copper-oxide materials. We introduce a similar model for high-temperature iron-selenide superconductors that are electron doped. Conduction electrons carry the minimal 3d xz and 3d yz iron-atom orbitals. Low-energy hidden spin fluctuations at the checkerboard wavevector Q_AF result from nested Fermi surfaces at the center and at the corner of the unfolded (one-iron) Brillouin zone. Magnetic …
Quantum oscillation measurements in the new unconventional superconductor YFe$_2$Ge$_2$ resolve all four Fermi surface pockets expected from band structure calculations, which predict an electron pocket in the Brillouin zone corner and three hole pockets enveloping the centers of the top and bottom of the Brillouin zone. The carrier masses are uniformly renormalized by about a factor of five and broadly account for the enhanced heat capacity Sommerfeld coefficient $\simeq 100$ mJ/molK$^2$. Our data highlight the key role of the electron pocket, which despite its small volume accounts for about…
We consider a Cooper pair beam splitter for Iron-Pnictide superconductor and calculate the entangled electron-hole current. We investigate the interplay of various physical parameters such as doping at electron and hole pockets as well as non-zero nesting between the electron and hole pocket. We find that in the absence of magnetic order, the current due to hole pocket and electron pocket add up ordinarily. However in the presence of magnetic ordering the two currents take part in characteristic interference effect to modify the resultant current significantly. This interference effect manifes…
We report $^{57}$Fe-NMR studies on the oxygen-deficient iron (Fe)-based oxypnictide superconductor LaFeAsO$_{0.7}$ ($T_{c}=$ 28 K) enriched by $^{57}$Fe isotope. In the superconducting state, the spin component of $^{57}$Fe-Knight shift $^{57}K$ decreases almost to zero at low temperatures and the nuclear spin-lattice relaxation rate $^{57}(1/T_{1})$ exhibits a $T^{3}$-like dependence without the coherence peak just below $T_{c}$, which give firm evidence of the unconventional superconducting state formed by spin-singlet Cooper pairing. All these events below $T_c$ are consistently argued in t…
School of Physics and Astronomy, University of St. Andrews（圣安德鲁斯大学物理与天文学院）；Institute of Physics, University of Greifswald（格赖夫斯瓦尔德大学物理研究所）；Diamond Light Source（钻石光源）
We perform a renormalization group (RG) study up to two-loop order of an effective low-energy two-band model to describe some of the recently discovered iron-based superconductors. Our starting point is the itinerant electronic model proposed by Chubukov \emph{et al.} [Phys. Rev. B \textbf{78}, 134512 (2008)], which displays two small, almost nested Fermi pockets with one hole pocket centered at $(0,0)$ and one electron pocket centered at $\mathbf{Q} = (π,π)$ in the folded Brillouin zone. We then proceed to implement a complete two-loop RG calculation for this model of four-point vertex correc…
Using functional renormalization group (FRG) approach, we analyze the $η$ pairing in a five d-orbital model for iron-pncitides. We find that the $η$ pairing between two hole pockets is a leading instability at low energy when the two hole pockets are close to a nesting condition. The result suggests that the system can spontaneously enter into a superconducting state with both normal pairing and $η$ paring and the $η$ pairing is driven by the inter-orbital antiferromagnetic exchange coupling while the normal pairing is driven by the intra-orbital antiferromagnetic ones. An effective model at l…
We compute the specific heat $C(T)$ in an Fe-based superconductor with only hole pockets. We use a three-orbital/three pocket model with two smaller hole pockets made out of $d_{xz}$ and $d_{yz}$ orbitals and a larger pocket made out of $d_{xy}$ orbital. We use as an input the experimental fact that the mass of $d_{xy}$ fermion is much heavier than that of $d_{xz}/d_{yz}$ fermions. We argue that the heavy $d_{xy}$ band contributes most to the specific heat in the normal state, but the superconducting gap on the $d_{xy}$ pocket is parametrically smaller than that on $d_{xz}/d_{yz}$ pockets. We …
An exact particle-hole transformation is discovered in a local-moment model for a single layer of heavily electron-doped FeSe. The model harbors hidden magnetic order between the iron d_xz and d_yz orbitals at the wavenumber (pi,pi). It potentially is tied to the magnetic resonances about the very same Neel ordering vector that have been recently discovered in intercalated FeSe. Upon electron doping, the local-moment model successfully accounts for the electron-pocket Fermi surfaces observed experimentally at the corner of the two-iron Brillouin zone in electron-doped FeSe, as well as for isot…
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…
We propose a theoretical description of the phase diagram and physical properties in A2Fe4Se5-type (A=K, Tl) compounds based on a coexistent local moment and itinerant electron picture. Using neutron scattering and ARPES measurements to fix the general structure of the local moment and itinerant Fermi pockets, we find a superconducting (SC) regime with s-wave pairing at the M pockets and an incipient sign-change s-wave near the Gamma point, which is adjacent to an insulating state at low doping and a charge-density-wave (CDW) state at high doping. The uniform susceptibility and resistivity are…
The electronic states of the Fe2As2 plane in iron-based superconductors are investigated on the basis of the two-dimensional 16-band d-p model which includes the Coulomb interaction on a Fe site: the intra- and inter-orbital direct terms U and U', the Hund's coupling J and the pair-transfer J'. Using the random phase approximation (RPA), we obtain the magnetic phase diagram including the stripe and the incommensurate order on the U'-J plane. We also solve the superconducting gap equation within the RPA and find that, for large J, the most favorable pairing symmetry is extended s-wave whose ord…
Nematic phase intertwines closely with high-Tc superconductivity in iron-based superconductors. Its mechanism, which is closely related to the pairing mechanism of superconductivity, still remains controversial. Comprehensive characterization of how the electronic state reconstructs in the nematic phase is thus crucial. However, most experiments focus only on the reconstruction of band dispersions. Another important characteristic of electronic state, the spectral weight, has not been studied in details so far. Here, we studied the spectral weight transfer in the nematic phase of FeSe$_{0.9}$S…
Recent experiments suggest that besides of antiferromagnetic fluctuations nematic fluctuations may contribute to the occurrence of superconductivity in iron pnictides. Motivated by this observation we study superconductivity from nematic fluctuations in a minimal two-band model. The employed band parameters are appropriate for iron pnictides and lead to four pockets for the Fermi line. It is shown that low-energy, long-wavelength nematic fluctuations within the pockets give rise to strong-coupling superconductivity whereas the large momenta density fluctuations between pockets are rather irrel…
We propose a modified Josephson corner-junction experiment which can test whether the order parameter in the iron pnictides changes sign between the electron and hole pockets of the Fermi surface.
Using angle-resolved photoemission spectroscopy we have studied the low-energy electronic structure and the Fermi surface topology of Fe$_{1+y}$Te$_{1-x}$Se$_x$ superconductors. Similar to the known iron pnictides we observe hole pockets at the center and electron pockets at the corner of the Brillouin zone (BZ). However, on a finer level, the electronic structure around the $Γ$- and $Z$-points in $k$-space is substantially different from other iron pnictides, in that we observe two hole pockets at the $Γ$-point, and more interestingly only one hole pocket is seen at the $Z$-point, whereas in …
In this paper, instabilities of the isotropic metallic phase in iron pnictides are investigated. The relevant quartic fermionic interaction terms in the model are identified using phase space arguments. Using the functional integral formalism, a Hubbard-Stratonovich transformation is used to decouple these quartic terms. This procedure introduces several bosonic fields which describe the low-energy collective modes of the system. By studying the behavior of these collective modes, a possible instability is found in the forward scattering channel of the isotropic phase driven by magnetic fluctu…
We investigate interplay between magnetic fluctuations and superconductivity in the effective five-band Hubbard model for iron-oxypnictide superconductors on the basis of the fluctuation-exchange approximation. As for the normal-state properties, we find the pseudogap behavior in the NMR relaxation rate and the spectral weight in the electron-doped region, while we cannot find such behavior in the hole-doped region. The pseudogap behavior originates from the band structure effect, that is, existence of high density of states just below the Fermi level. Solving the superconducting Eliashberg eq…
We propose an explanation for the electronic nematic state observed recently in parent iron-based superconductors [T.-M. Chuang et al., Science 327, 181 (2010)]. We argue that the quasi-one-dimensional nanostructure identified in the quasiparticle interference (QPI) is a consequence of the interplay of the magnetic ($π$, 0) spin-density wave (SDW) order with the underlying electronic structure. We show that the evolution of the QPI peaks largely reflects quasiparticle scattering between electronic bands involved in the SDW formation. Because of the ellipticity of the electron pocket and the fa…
We report the results of a parquet renormalization group (RG) study of competing instabilities in the full 2D four pocket, three orbital low-energy model for iron-based superconductors. We derive and analyze the RG flow of the couplings, which describe all symmetry-allowed interactions between low-energy fermions. Despite that the number of the couplings is large, we argue that there are only two stable fixed trajectories of the RG flow and one weakly unstable fixed trajectory with a single unstable direction. Each fixed trajectory has a finite basin of attraction in the space of initial syste…
A mechanism for electronic phase separation in iron pnictides is proposed. It is based on the competition between commensurate and incommensurate spin-density-wave phases in a system with an imperfect doping-dependent nesting of a multi-sheeted Fermi surface. We model the Fermi surface by two elliptical electron pockets and three circular hole pockets. The interaction between a charge carrier in a hole band and a carrier in an electron band leads to the formation of spin-density-wave order. The commensurate spin density wave in the parent compound transforms to the incommensurate phase when do…
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 …
The transport and complex optical properties of the electron-doped iron-arsenic superconductor BaFe1.85Co0.15As2 with Tc = 25 K have been examined in the Fe-As planes above and below Tc. A Bloch-Gruneisen analysis of the resistivity yields a weak electron-phonon coupling constant lambda_ph ~ 0.2. The low-frequency optical response in the normal state appears to be dominated by the electron pocket and may be described by a weakly-interacting Fermi liquid with a Drude plasma frequency of omega_p,D ~ 7840 cm-1 (~ 0.972 eV) and scattering rate 1/tau_D ~ 125 cm-1 (~ 15 meV) just above Tc. The frequ…
We perform a theoretical study of the leading pairing instabilities and the associated superconducting gap functions within the spin-fluctuation mediated pairing scenario in the presence of spin-orbit coupling (SOC). Focussing on iron-based superconductors (FeSCs), our model Hamiltonian consists of a realistic density functional theory (DFT)-derived ten-band hopping term, spin-orbit coupling, and electron-electron interactions included via the multi-orbital Hubbard-Hund Hamiltonian. We perform an extensive parameter sweep and investigate different doping regimes including cases with only hole-…
We use angle-resolved photoemission spectroscopy (ARPES) to investigate the electronic properties of the newly discovered iron-arsenic superconductor, Ba(1-x)K(x)Fe2As2 and non-supercondcuting BaFe2As2. Our study indicates that the Fermi surface of the undoped, parent compound BaFe$_2$As$_2$ consists of hole pocket(s) at Gamma (0,0) and larger electron pocket(s) at X (1,0), in general agreement with full-potential linearized plane wave (FLAPW) calculations. Upon doping with potassium, the hole pocket expands and the electron pocket becomes smaller with its bottom approaching the chemical poten…
A major puzzle about the nature of the iron-based superconductivity appears in the case of the alkaline iron selenides. Compared to the iron pnictides, these systems have only electron Fermi pockets (i.e. no hole Fermi pockets) but comparable superconducting transition temperatures. The challenge lies in reconciling the two basic experimental features of their superconducting state: a node-less gap and the existence of a resonance in the spin excitation spectrum. We propose a mechanism based on reconstructing two quasi-degenerate pairing states, one in an $s$-wave $A_{1g}$ channel that is full…
We consider Fe-based superconductors with s^{+-} gap with accidental nodes on electron pockets. We analyze how the gap structure changes if we include into the consideration the hybridization between the two electron pockets (the inter-pocket hopping term with momentum (pi,pi,pi). We derive the hybridization term and relate it to the absence of inversion symmetry in the Fe-plane because of two non-equivalent locations of pnictogen (chalcogen) above and below the plane. We find that the hybridization tends to eliminate the nodes -- as it increases, the pairs of neighboring nodes approach each o…
We use density functional theory to study the structure and the band structure of the monolayer FeSe deposited on the SrTiO$_3$ substrate with the additional layer of Se between them. Top of the SrTiO$_3$ is formed by the double TiO layer with and without oxygen vacancies. Several structures with different arrangements of the additional Se atoms above the double TiO layer is considered. Equilibrium structures were found and the band structures for them were obtained. Near the $Γ=(0,0,0)$ point of the Brillouin zone, the hole Fermi surface pockets persist and, additionally, an electron pocket a…
The phase diagram of a correlated material is the result of a complex interplay between several degrees of freedom, providing a map of the material's behavior. One can understand (and ultimately control) the material's ground state by associating features and regions of the phase diagram, with specific physical events or underlying quantum mechanical properties. The phase diagram of the newly discovered iron arsenic high temperature superconductors is particularly rich and interesting. In the AE(Fe1-xTx)2As2 class (AE being Ca, Sr, Ba, T being transition metals), the simultaneous structural/ma…
