Herewith, we review the available experimental data of thermoelectric transport properties of iron-based superconductors and parent compounds. We discuss possible physical mechanisms into play in determining the Seebeck effect, from whence one can extract information about Fermi surface reconstruction and Lifshitz transitions, multiband character, coupling of charge carriers with spin excitations and its relevance in the unconventional superconducting pairing mechanism, nematicity, quantum critical fluctuations close to the optimal doping for superconductivity, correlation. Additional information is obtained from the analysis of the Nernst effect, whose enhancement in parent compounds must be related partially to multiband transport and low Fermi level, but mainly to the presence of Dirac cone bands at the Fermi level. In the superconducting compounds, large Nernst effect in the normal state is explained in terms of fluctuating precursors of the spin density wave state, while in the superconducting state it mirrors the usual vortex liquid dissipative regime. A comparison between the phenomenology of thermoelectric behavior of different families of iron-based superconductors and parent compounds allows to evidence the key differences and analogies, thus providing clues on the rich and complex physics of these fascinating unconventional 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.
A review of the magnetism in the parent compounds of the iron-based superconductors is given based on the transmission Moessbauer spectroscopy of 57Fe and 151Eu. It was found that the 3d magnetism is of the itinerant character with varying admixture of the spin-polarized covalent bonds. For the 122 compounds a longitudinal spin density wave (SDW) develops. In the case of the EuFe2As2 a divalent europium orders antiferromagnetically at much lower temperature as compared to the onset of SDW. These two magnetic systems remain almost uncoupled one to another. For the non-stoichiometric Fe(1+x)Te p…
57Fe Moessbauer spectroscopy was applied to investigate the superconductor parent compound Fe(1+x)Te for x=0.06, 0.10, 0.14, 0.18 within the temperature range 4.2 K - 300 K. A spin density wave (SDW) within the iron atoms occupying regular tetrahedral sites was observed with the square root of the mean square amplitude at 4.2 K varying between 9.7 T and 15.7 T with increasing x. Three additional magnetic spectral components appeared due to the interstitial iron distributed over available sites between the Fe-Te layers. The excess iron showed hyperfine fields at approximately 16 T, 21 T and 49 …
We elucidate the existing controversies in the newly discovered K-doped iron selenide (KxFe2-ySe2-z) superconductors. The stoichiometric KFe2Se2 with \surd2\times\surd2 charge ordering was identified as the parent compound of KxFe2-ySe2-z superconductor using scanning tunneling microscopy and spectroscopy. The superconductivity is induced in KFe2Se2 by either Se vacancies or interacting with the anti-ferromagnetic K2Fe4Se5 compound. Totally four phases were found to exist in KxFe2-ySe2-z: parent compound KFe2Se2, superconducting KFe2Se2 with \surd2\times\surd5 charge ordering, superconducting …
A Heisenberg model over the square lattice recently introduced by Si and Abrahams to describe local-moment magnetism in the new class of Fe-As high-Tc superconductors is analyzed in the classical limit and on a small cluster by exact diagonalization. In the case of spin-1 iron atoms, large enough Heisenberg exchange interactions between neighboring spin-1/2 moments on different iron 3d orbitals that frustrate true magnetic order lead to hidden magnetic order that violates Hund's rule. It accounts for the low ordered magnetic moment observed by elastic neutron diffraction in an undoped parent c…
The appearance of superconductivity at ambient pressures in the undoped iron pnictide parent compound SrFe2As2 is studied experimentally using several techniques and approaches to aid in understanding the nature of this phase. Low temperature magnetization measurements of single crystals of SrFe2As2 reveal diamagnetic screening due to the onset of superconductivity below 21 K, with volume fraction estimates varying between 0 and 15 percent. The effects of heat treatment and cold-working via severe mechanical deformation on the superconducting phase found are studied, showing that superconducti…
Orbital polarization and electronic correlation are two essential aspects in understanding the normal state and superconducting properties of multiorbital FeAs-based superconductors. In this Letter, we present a systematical study on the orbital polarization of iron pnictides from weak to strong Coulomb correlations within the KRSB approach. The magnetic phase diagram of the two-orbital model for LaFeAsO clearly shows that the striped antiferromagnetic metallic phase with considerable orbital polarization exists over a wide doping range. The reversal of the orbital polarization occurs in the i…
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…
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…
Charge ordering is one of the most intriguing and extensively studied phenomena in correlated electronic materials because of its strong impact on electron transport properties including superconductivity. Despite its ubiquitousness in correlated systems, the occurrence of charge ordering in iron-based superconductors is still unresolved. Here we use scanning tunneling microscopy to reveal a long-range charge-stripe order and a highly anisotropic dispersion of electronic states in the ground state of stoichiometric FeTe, the parent compound of the Fe(Te, Se, S) superconductor family. The forma…
We report low-temperature thermal conductivity down to 40 mK of the antiferromagnet BaFe$_2$As$_{2}$, which is the parent compound of recently discovered iron-based superconductors. In the investigated temperature range below 4 K, the thermal conductivity $κ$ is well described by the expression $κ$ = $aT$ + $bT^{2.22}$. We attribute the ``$aT$''-term to an electronic contribution which is found to satisfy the Wiedemann-Franz law in the $T$ $\to$ 0 K limit, and the remaining thermal conductivity, $\sim$ $T^{2.22}$, is attributed to phonon conductivity. A small influence on thermal conductivity …
The degree of electron correlations remains a central issue in the iron-based superconductors. The parent iron pnictides are antiferromagnetic, and their bad-metal behavior has been interpreted in terms of proximity to a Mott transition. We study such a transition in multi-orbital models on modulated lattices containing an ordered pattern of iron vacancies, using a slave-rotor method. We show that the ordered vacancies lead to a band-narrowing, which pushes the system to the Mott insulator side. This effect is proposed to underlie the insulating behavior observed in the parent compounds of the…
We use angle resolved photoemission spectroscopy (ARPES) to study the band structure of BaFe2As2 and CaFe2As2, two of the parent compounds of the iron arsenic high temperature superconductors. We find clear evidence for band back folding and hybridization demonstrating that conduction electrons are strongly affected by the emergence of magnetic order. Our high quality data revealed that although the Fermi surface is strongly three-dimensional, it does indeed have long parallel segments along the kz direction that can lead to the emergence of magnetic order. More interestingly, we find very unu…
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…
57Fe and 151Eu Moessbauer spectra were obtained versus temperature for Eu0.57Ca0.43Fe2As2 compound with 3d and 4f magnetic order and Eu0.73Ca0.27(Fe0.87Co0.13)2As2 re-entrant superconductor, where the finite resistivity reappears while approaching the ground state. They were compared with previously obtained spectra for parent compounds EuFe2As2 and CaFe2As2. It was found that substitution beyond the Fe-As layers does not lead to the rotation (canting) of the Eu2+ magnetic moments and does not generate Eu3+ states. On the other hand, re-entrant superconductor exhibits rotation (canting) of the…
Studies of the copper-based superconductors demonstrate how their phase diagram becomes more complex as experimental probes improve, able to distinguish among subtly different electronic phases. One of those phases, nematicity, has become the matter of great interest also in the iron-based superconductors, where it is detected deep in the tetragonal state. Here we present the evolution of the in-plane Nernst effect anisotropy in the strain detwinned Ca(Fe1-xCox)2As2 single crystals, whose behaviour can be explained within the approach developed to describe the nematic order parameter in liquid…
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…
Both cuprates and iron-based superconductors demonstrate nematicity, defined as the spontaneous breaking of rotational symmetry in electron systems. The nematic state can play a role in the high-transition-temperature superconductivity of these compounds. However, the microscopic mechanism responsible for the transport anisotropy in iron-based compounds remains debatable. Here, we investigate the electronic anisotropy of CaFeAsF by measuring its interlayer resistivity under magnetic fields with varying field directions. Counterintuitively, the interlayer resistivity was larger in the longitudi…
The thermopower and Nernst effect were investigated for undoped parent compounds LaFeAsO and LaNiAsO. Both thermopower and Nernst signal in iron-based LaFeAsO are significantly larger than those in nickel-based LaNiAsO. Furthermore, abrupt changes in both thermopower and Nernst effect are observed below the structural phase transition temperature and spin-density wave (SDW) type antiferromagnetic (AFM) order temperature in Fe-based LaFeAsO. On the other hand, Nernst effect is very small in the Ni-based LaNiAsO and it is weakly temperature-dependent, reminiscent of the case in normal metals. We…
We report quantum oscillation measurements in SrFe2As2 - which is an antiferromagnetic parent of the iron-arsenide family of superconductors - known to become superconducting under doping and the application of pressure. The magnetic field and temperature dependences of the oscillations between 20 and 55 T in the liquid helium temperature range suggest that the electronic excitations are those of a Fermi liquid. We show that the observed Fermi surface comprising small pockets is consistent with the formation of a spin-density wave. Our measurements thus demonstrate that high Tc superconductivi…
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.
We investigate the transient electronic structure of BaFe2As2, a parent compound of iron-based superconductors, by time- and angle-resolved photoemission spectroscopy. In order to probe the entire Brillouin zone, we utilize extreme ultraviolet photons and observe photoemission intensity oscillation with the frequency of the A1g phonon which is antiphase between the zone-centered hole Fermi surfaces (FSs) and zone-cornered electron FSs. We attribute the antiphase behavior to the warping in one of the zone-centered hole FSs accompanying the displacement of the pnictogen height, and find that thi…
First principles FLAPW-GGA method was used for the comparative study of the structural and electronic properties of three related tetragonal ThCr2Si2-type phases KFe2Ch2, where Ch are S, Se, and Te. The main trends in electronic bands, densities of states and Fermi surfaces for AFe2Ch2 are analyzed in relation to their structural parameters. We found that at the anion replacements (S<->Se<->Te) any critical changes in electronic structure of KFe2Ch2 phases are absent. On the other hand, our analysis of structural and electronic parameters for hypothetical KFe2Te2 allows to assume that this sys…
Data on the magneto-thermopower and specific heat of three compounds belonging to '1111' oxypnictides family are reported. One specimen (SmAsFeO0.8F0.2) is a superconductor with Tc = 53 K, while two others (SmAsFeO and NdAsFeO) are nonsuperconducting parent compounds. Our results confirm that spin density wave (SDW) order is present in SmAsFeO and NdAsFeO. In these two samples a strict connection between the thermoelectric power and electronic specific heat is found in the vicinity of SDW transition, what indicates that the chemical potential of charge carriers strongly depends on temperature …
Chuang et al (Reports, 8th of January 2010, p. 181)1 report quasiparticle interference (QPI) imaging that shows pronounced C2 asymmetry. They interpreted this result as indication of an electronic nematic phase with an electron band dispersive only along the b-axis of this orthorhombic material. We argue that this asymmetry is consistent with the underlying long range magnetic order and that LDA electronic structure provides a better description of the QPI images than the 1D band structure conjectured by Chuang et al.
We report ultrafast quasiparticle (QP) dynamics and coherent acoustic phonons in undoped CaFe_2As_2 iron pnictide single crystals exhibiting spin-density wave (SDW) and concurrent structural phase transition at temperature TSDW ~ 165 K using femtosecond time-resolved pump-probe spectroscopy. The contributions in transient differential reflectivity arising from exponentially decaying QP relaxation and oscillatory coherent acoustic phonon mode show large variations in the vicinity of T_SDW. From the temperature-dependence of the QP recombination dynamics in the SDW phase, we evaluate a BCS-like …
We employ a five-orbital tight-binding model to develop the mean field solution for various possible spin density wave states in the iron-chalcogenides. The quasiparticle interference (QPI) technique is applied to detect signatures of these states due to scatterings arising from non-magnetic impurities. Apart from the experimentally observed double striped structure with ordering vector $(π/2,π/2)$, the QPI method is investigated for the extended-stripe as well as the orthogonal double stripe phase. We discuss QPI as a possible tool to detect and classify various magnetic structures with diffe…
The ternary iron arsenide BaFe2As2 with the tetragonal ThCr2Si2-type structure exhibits a spin density wave (SDW) anomaly at 140 K, very similar to LaFeAsO, the parent compound of the iron arsenide superconductors. BaFe2As2 is a poor Pauli-paramagnetic metal and undergoes a structural and magnetic phase transition at 140 K, accompanied by strong anomalies in the specific heat, electrical resistance and magnetic susceptibility. In the course of this transition, the space group symmetry changes from tetragonal (I4/mmm) to orthorhombic (Fmmm). 57Fe Moessbauer spectroscopy experiments show a singl…
The nematic instability of iron-based superconductors is an undebatable ingredient of the physics of iron-based superconductors. Yet, its origin remains enigmatic as it involves a fermiology with an intricate interplay of lattice-, orbital- and spin- degrees of freedom. It is well known that thermoelectric transport is an excellent probe for revealing even subtle signatures of instabilities and pertinent fluctuations. In this paper, we report a strong response of the thermoelectric transport properties of two underdoped 1111 iron-based superconductors to a vanishingly small strain. By introduc…
We report the in-plane anisotropy of the Seebeck and Nernst coefficients as well as of the electrical resistivity determined for the series of the strain-detwinned single crystals of Ba(Fe1-xCox)2As2. Two underdoped samples (x = 0.024, 0.045) exhibiting the transition from the tetragonal paramagnetic phase to the orthorhombic spin density wave (SDW) phase (at Ttr = 100 and 60 K, respectively) show an onset of the Nernst anisotropy at temperatures above 200 K, which is significantly higher than Ttr. In the optimally doped sample (x = 0.06) the transport properties also appear to be in-plane ani…
In-plane longitudinal and transverse thermoelectric phenomena in two parent compounds of iron-based superconductors are studied. Namely, the Seebeck (S) and Nernst (n) coefficients were measured in the temperature range 10 - 300 K for BaFe2As2 and CaFe2As2 single crystals that were detwinned in-situ. The thermoelectric response shows sizeable anisotropy in the spin density wave state (SDW) for both compounds, while some dissimilarities in the vicinity of the SDW transition can be attributed to the different nature of the phase change in BaFe2As2 and CaFe2As2. Temperature dependences of S and n…
The impurity-induced quasiparticle interference(QPI) in the parent compounds of iron-pnictide superconductors is investigated based on a phenomenological two-orbital four-band model and T-matrix method. We find the QPI is sensitive to the value of the magnetic order which may vary from one compound to another. For small value of the magnetic order, the pattern of oscillation in the local density of states (LDOS) induced by the QPI exhibits two-dimensional characteristics, consistent with the standing wave state observed in the 1111 compound. For larger value of the magnetic order, the main fea…
High-temperature superconductivity is closely adjacent to a long-range antiferromagnet, which is called a parent compound. In cuprates, all parent compounds are alike and carrier doping leads to superconductivity, so a unified phase diagram can be drawn. However, the properties of parent compounds for iron-based superconductors show significant diversity and both carrier and isovalent dopings can cause superconductivity, which casts doubt on the idea that there exists a unified phase diagram for them. Here we show that the ordered moments in a variety of iron pnictides are inversely proportion…
High-temperature superconductivity in the iron-based materials emerges from, or sometimes coexists with, their metallic or insulating parent compound states. This is surprising since these undoped states display dramatically different antiferromagnetic (AF) spin arrangements and N$\rm \acute{e}$el temperatures. Although there is general consensus that magnetic interactions are important for superconductivity, much is still unknown concerning the microscopic origin of the magnetic states. In this review, progress in this area is summarized, focusing on recent experimental and theoretical result…
We have successfully synthesized the fluo-arsenide SrFeAsF, a new parent phase with the ZrCuAsSi structure. The temperature dependence of resistivity and dc magnetization both reveal an anomaly at about T_{an} = 173 K, which may correspond to the structural and/or Spin-Density-Wave (SDW) transition. Strong Hall effect and magnetoresistance were observed below T_{an}. Interestingly, the Hall coefficient R_H is positive below T_{an}, which is opposite to the cases in the two parent phases of FeAs-based systems known so far, i.e., LnFeAsO (Ln = rare earth elements) and (Ba, Sr)Fe_2As_2 where the …
The recent discovery of iron ferropnictide superconductors has received intensive concerns on magnetic involved superconductors. Prominent features of ferropnictide superconductors are becoming apparent: the parent compounds exhibit antiferromagnetic (AFM) ordered spin density wave (SDW) state; the magnetic phase transition is always accompanied to a crystal structural transition; superconductivity can be induced by suppressing the SDW phase via either chemical doping or applied external pressure to the parent state. These features generated considerable interests on the interplay between magn…
We study the in-plane anisotropy of the thermoelectric power and electrical resistivity on detwinned single crystals of isovalent substituted EuFe$_{2}$(As$_{1-x}$P$_{x}$)$_2$. Compared to the resistivity anisotropy the thermopower anisotropy is more pronounced and clearly visible already at temperatures much above the structural and magnetic phase transitions. Most remarkably, the thermopower anisotropy changes sign below the structural transition. This is associated with the interplay of two contributions due to anisotropic scattering and orbital polarization, which dominate at high- and low…
Nematicity plays an important role in the physics of iron-based superconductors (IBS). Its microscopic origin and in particular its importance for the mechanism of high-temperature superconductivity itself are highly debated. A crucial knowledge in this regard is the degree to which the nematic order influences the electronic structure of these materials. Earlier angle-resolved photoemission spectroscopy (ARPES) studies found that the effect is dramatic in three families of IBS including 11, 111 and 122 compounds: energy splitting reaches 70 meV and Fermi surface becomes noticeably distorted. …
We present scanning tunneling microscopy studies of the LaOFeAs parent compound of iron pnictide superconductors. Topographic imaging reveals two types of atomically flat surfaces, corresponding to the exposed LaO layer and FeAs layer respectively. On one type of surface, we observe strong standing wave patterns induced by quasiparticle interference of two-dimensional surface states. The distribution of scattering wavevectors exhibits pronounced two-fold symmetry, consistent with the nematic electronic structure found in the Ca(Fe1-xCox)2As2 parent state.
We report thermal transport measurement of KxFe2-ySe2 superconducting single crystal. Significant peak anomaly in thermal conductivity is observed at nearly TC/2 indicating a large phonon mean-free-path in the superconducting state. The zero-temperature extrapolated thermoelectric power is smaller than the value in typical strongly correlated superconductors, implying large normalized Fermi temperature. In contrast to other iron superconductors, thermoelectric power in our sample does not exhibit significant anomalies. These findings indicate that KxFe2-ySe2 is a weakly or intermediately corre…
The parent compound of an unconventional superconductor must contain unusual correlated electronic and magnetic properties of its own. In the high-Tc potassium intercalated FeSe, there has been significant debate regarding what the exact parent compound is. Our studies unambiguously show that the Fe-vacancy ordered K2Fe4Se5 is the magnetic, Mott insulating parent compound of the superconducting state. Non-superconducting K2Fe4Se5 becomes a superconductor after high temperature annealing, and the overall picture indicates that superconductivity in K2-xFe4+ySe5 originates from the Fe-vacancy ord…
The nature of metallicity and the level of electronic correlations in the antiferromagnetically ordered parent compounds are two important open issues for the iron-based superconductivity. We perform a temperature-dependent angle-resolved photoemission spectroscopy study of Fe1.02Te, the parent compound for iron chalcogenide superconductors. Deep in the antiferromagnetic state, the spectra exhibit a "peak-dip-hump" line shape associated with two clearly separate branches of dispersion, characteristics of polarons seen in manganites and lightly-doped cuprates. As temperature increases towards t…
A microscopic model for the FeAs plane in the newly discovered Iron-based superconductors is proposed with the emphasis on the role of the orbital degeneracy between the Fe $3d_{xz}$ and $3d_{yz}$ orbital in the crystal field environment. The model predicts commensurate antiferromagnetic ordered ground state for the parent compounds and a d-wave superconducting ground state at finite doping. Inter-orbital couplings plays an interesting role in enhancing both orders. Correlated variational wave functions are proposed for both ordered phases.
The bad metal behavior in the normal state of the iron-based superconductors suggests an intimate connection between the superconductivity and a proximity to a Mott transition. At the same time, there is strong evidence for the multi-orbital nature of the electronic excitations. It is then important to understand the orbital-dependent effects of electron correlations. In this paper we review the recent theoretical progresses on the metal-to-insulator transition in multiorbital models for the iron-based superconductors. These include studies of models that contain at least the 3d xy and 3d xz/y…
It is well established that the occurrence of superconductivity in iron pnictides is closely related to the tetragonal to orthorhombic structural and antiferromagnetic (AFM) phase transitions. It, however, has not been clear whether the same scenario is appropriate for iron chalcogenide counterparts due to the absence of parent compounds for the latter family of superconductors. Here, we report the synthesis and structure determination of two novel phases in ethylenediamine intercalated FeSe, one is tetragonal and the other orthorhombic in room temperature, which can be stabilized with neutral…
We report a combined study of the Nernst coefficient (v), Hall effect and thermoelectric power of CaFe2As2 and CaFe1.92Co0.08As2 single crystals. The absolute value of v in both samples is enhanced, probably due to ambipolar flow of electron- and hole-like quasiparticles. The onset of spin-density-wave order in CaFe2As2 causes further rapid rise of the Nernst coefficient. On the contrary, in the CaFe1.92Co0.08As2 crystal we do not see any feature of v(T), which could be clearly associated with SDW fluctuations. In this Co-doped sample there is also no noticeable increase in of v in the vicinit…
The recent discovery of superconductivity in the iron-based layered pnictides with T_c ranging between 26 and 56K generated enormous interest in the physics of these materials. Here, we review some of the peculiarities of the antiferromagnetic order in the iron pnictides, including the selection of the stripe magnetic order and the formation of the Ising-nematic state in the unfolded BZ within an itinerant description. In addition we analyze the properties of the quasiparticle interference spectrum in the parent antiferromagnetic phase.
Antiferromagnetism is relevant to high temperature (high-Tc) superconductivity because copper oxide and iron arsenide high-Tc superconductors arise from electron- or hole-doping of their antiferromagnetic (AF) ordered parent compounds. There are two broad classes of explanation for the phenomenon of antiferromagnetism: in the local moment picture, appropriate for the insulating copper oxides, AF interactions are well described by a Heisenberg Hamiltonian; while in the itinerant model, suitable for metallic chromium, AF order arises from quasiparticle excitations of a nested Fermi surface. Ther…
In high temperature cuprate superconductors, it is now generally agreed that the parent compound is a Mott insulator and superconductivity is realized by doping the antiferromagnetic Mott insulator. In the iron-based superconductors, however, the parent compound is mostly antiferromagnetic metal, raising a debate on whether an appropriate starting point should go with an itinerant picture or a localized picture. It has been proposed theoretically that the parent compound of the iron-based superconductors may be on the verge of a Mott insulator, but so far no clear experimental evidence of dopi…
We examine the relevance of several major material-dependent parameters to the magnetic softness in iron-base superconductors by first-principles electronic structure analysis of their parent compounds. The results are explained in the spin-fermion model where localized spins and orbitally degenerate itinerant electrons coexist and are coupled by Hund's rule coupling. We found that the difference in the strength of the Hund's rule coupling term is the major material-dependent microscopic parameter for determining the ground-state spin pattern. The magnetic softness in iron-based superconductor…
The compound EuFe(2-x)Co(x)As2 was investigated by means of the 57Fe and 151Eu Moessbauer spectroscopy versus temperature (4.2 - 300 K) for x=0 (parent), x=0.34 - 0.39 (superconductor) and x=0.58 (overdoped). It was found that spin density wave (SDW) is suppressed by Co-substitution, however it survives in the region of superconductivity, but iron spectra exhibit some non-magnetic component in the superconducting region. Europium orders anti-ferromagnetically regardless of the Co concentration with the spin re-orientation from the a-axis in the parent compound toward c-axis with the increasing…
We report the first Nernst effect measurement on the new iron-based superconductor LaO$_{1-x}$F$_{x}$FeAs $(x=0.1)$. In the normal state, the Nernst signal is negative and very small. Below $T_{c}$ a large positive peak caused by vortex motion is observed. The flux flowing regime is quite large compared to conventional type-II superconductors. However, a clear deviation of the Nernst signal from normal state background and an anomalous depression of off-diagonal thermoelectric current in the normal state between $T_{c}$ and 50 K are observed. We propose that this anomaly in the normal state Ne…
We perform transport measurements and band structure calculations of electron-doped LaFeAsO1-xHx over a wide range of x from 0.01 to 0.66. The T^2 and sqrt(T) dependency of the resistivity are observed at x ~ 0.17 and 0.41, respectively. The sign change of RH without opening of the spin-density-wave gap for 0.45 < x < 0.58 and T < TN as well as the calculated non-nested Fermi surface at x = 0.5 indicate the more localized nature of the AF2 as compared to spin density wave phase at non-doped sample. Considering the results from band calculations and the finite size of Hund' s rule coupling, the…
By means of first-principles calculations, the electronic structure and chemical bonding for the recently discovered tetragonal (s.g. P4/n; # 85) superconducting (Tc ~ 25K) phase Ca10(Pt4As8)(Fe2As2)5 have been examined in details, and the optimized structural parameters, electronic bands, densities of states, and inter-atomic bonding picture were evaluated and analyzed in comparison with related layered iron-based superconducting materials. We have shown that (i) Ca10(Pt4As8)(Fe2As2)5 is metallic-like, and the electronic bands in the window around the Fermi level are formed mainly by the Fe 3…
We theoretically examine the orbital excitations coupled to the spin degree of freedom in the parent state of the iron-arsenide superconductor, based on the calculation in a five-band itinerant model. The calculated Fe $L_3$-edge resonant inelastic x-ray scattering (RIXS) spectra disclose the presence of spin-flip excitations involving several specific orbitals. Magnon excitations predominantly composed of a single orbital component can be seen in experiments, although its spectral weight is smaller than spin-flipped interorbital high-energy excitations. The detailed polarization and momentum …
The experimentally observed bad metal behavior in parent iron pnictides and chalcogenides suggests that these systems contain strong electronic correlations and are on the verge of a metal-to-insulator transition. The magnetic excitations in this bad-metal regime mainly derive from the incoherent part of the electronic spectrum away from the Fermi energy. We present a microscopic study of the exchange interactions in such a regime within a slave rotor approach. We find that the exchange interaction is maximized near the Mott transition. Generalizations to the multi-orbital case are discussed, …
We use polarization-resolved Raman spectroscopy to study the anisotropy of the electronic characteristics of the iron-pnictide parent compounds $A$Fe$_{2}$As$_{2}$ ($A$~=~Eu, Sr). We demonstrate that above the structural phase transition at Ts the dynamical anisotropic properties of the 122 compounds are governed by the emergence of $xy$-symmetry critical collective mode foretelling a condensation into a state with spontaneously broken four-fold symmetry at a temperature $T^{*}$. However, the mode's critical slowing down is intervened by a structural transition at Ts, about 80~K above $T^{*}$,…
We use scanning tunneling microscopy to investigate the doping dependence of quasiparticle interference (QPI) in NaFe1-xCoxAs iron-based superconductors. The goal is to study the relation between nematic fluctuations and Cooper pairing. In the parent and underdoped compounds, where four-fold rotational symmetry is broken macroscopically, the QPI patterns reveal strong rotational anisotropy. At optimal doping, however, the QPI patterns are always four-fold symmetric. We argue this implies small nematic susceptibility and hence insignificant nematic fluctuation in optimally doped iron pnictides.…
Recent several experiments revealed that novel bipartite magnetic/superconducting phases widely exist in iron pnictides and chalcogenides. Nevertheless, the origin of the two-dome superconducting phases in iron-based compounds still remains unclear. Here we theoretically investigated the electronic structures, magnetic and superconducting properties of three representative iron-based systems, i.e. LaFeAsO1-xHx, LaFeAs1-xPxO and KFe2As2. We found that in addition to the degenerate in-plane anisotropic xz/yz orbitals, the quasi-degenerate in-plane isotropic orbitals drive these systems entering …
