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$χ({\bf Q_{AFM}},ω)$ becomes nearly temperature independent. At the same time, we observe that the uniform susceptibility deviates from the Pauli-like behavior and is increasing with increasing temperature reflecting the activation processes for the $α$-Fermi surfaces up to temperatures of about T=800K. With increase of the doping the absolute value of the uniform susceptibility lowers and its temperature dependence changes. In particular, it is a constant at low temperatures and then decreases with increasing temperature. We discuss our results in a context of recent experimental data.
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 …
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…
We investigate the magnetic phase diagram of the newly discovered iron-based high temperature oxypnictide superconductors of the type RO$_{1-x}$F$_x $FeAs, with rare earths R=La, Sm, Nd, Pr and Ce by means of {\it ab initio} SGGA and SGGA+U density functional computations. We find undoped LaOFeAs to be a Mott insulator when incorporating electronic correlations via SGGA+U for any physically relevant value of $U$. The doped compounds are according to SGGA conductors with a transition from an antiferromagnetic to a non-magnetic state at a hole doping of concentration $x_c$=0.075 for R=Nd, Pr and…
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…
A family of titanium oxypnictide materials BaTi2Pn2O (Pn = pnictogen) becomes superconducting when a charge and/or spin density wave is suppressed. With hole doping, isovalent doping and pressure, a whole range of tuning parameters is available. We investigate how charge doping controls the superconducting transition temperature Tc. To this end, we use experimental crystal structure data to determine the electronic structure and Fermi surface evolution along the doping path. We show that a naive approach to calculating Tc via the density of states at the Fermi level and the McMillan formula sy…
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 …
LaFe1-yCoyAsO1-xFx (x=0.11) with various y values were prepared and their electrical resistivities, superconducting diamagnetisms and Hall coefficients have been measured. 75As- and 135La-NMR studies have also been carried out In spite of the successful Co-doping, we have not found any meaningful correlation of Tc with y, which indicates that the Tc-suppression by Co-doping is considered not to be so significant as expected for superconductors with nodes. Even for superconductors without nodes, it may not be easy to expect this small effect on Tc, if there are two different (disconnected) Ferm…
Theoretical calculations under the scheme of WIEN2k computer package had been performed on the pristine compound LaOFeAs, as well as on LaO1-xFxFeAs. One factor crucial to the manifestation of superconductivity seems to be fluorine doping; hence we search for its effect. Paying close attention to Fe d-orbitals upon doping of F by O, at first, Fe d-orbitals have dz2 symmetry, changing gradually to something akin to dx2-y2 which seems more prone to conductivity than the former one. This issue agree with the accepted results happened in the copper-based high-temperature superconductors.
A phenomenological bond order model predicting doping curves [Tc vs doped charge, c] of cuprates is found to have wider applicability. In this model Tc is dependent on the density of electronic pair crystals [EC] in a covalently bonding layer structure and on a layer Isolation factor, f [ECI model]. Characteristic doping curve events such as optima are correlated with a select number of EC with pair repeats corresponding to multiples of lattice parameters such as c=2/3x4=0.167, where 3x4 represent pair periodicity of 3a0 and 4b0. At these EC all doped charge is converted into pairs according t…
The recent discovery of a new class of superconducting oxypnictides with high transition temperatures may have profound implications for understanding unconventional high-temperature superconductivity. Like the cuprates, the oxypnictides seem to manifest an interleaving of charge donor and superconducting layers emerging upon doping of an antiferromagnetic parent semi-metal. Here we report magneto-transport measurements of three rare earth (Re = La, Nd, Sm) oxypnicide compounds with the transition temperatures near the maximum reported to date, in very high DC and pulsed magnetic fields up to …
The discovery of about 50 K superconductivity in the tetragonal Fe-based pnictides has stimulated the search for superconductivity in a wide class of materials with similar structure. Copper forms compounds isostructural to LaOFeAs. Single phase BiOCuS can be prepared by a solid state reaction at temperature lower than 500 C from a mixture of Bi2O3, Bi2S3 and Cu2S. The samples have been characterized by means of EDX analysis, X-ray diffraction, magnetic and electrical measurements. The cell parameters are a = 3.8708 A, c = 8.565 A. Charge carrier doping can be realized either by F substitution…
The electronic and magnetic properties of cobalt-based layered oxypnictides, LaCoOX (X = P, As), are investigated. LaCoOP and LaCoOAs show metallic type conduction, and the Fermi edge is observed by hard x-ray photoelectron spectroscopy. Ferromagnetic transitions occur at 43 K for LaCoOP and 66 K for LaCoOAs. Above the transition temperatures, temperature dependence of the magnetic susceptibility follows the Curie-Weiss law. X-ray magnetic circular dichroism (XMCD) is observed at the Co L2,3-edge, but not at the other edges. The calculated electronic structure shows a spin polarized ground sta…
Pairing symmetry in oxypnictides, a new family of multiband high-Tc superconductors, is partially imposed by the positions of multiple Fermi pockets, which itself can give rise to new order parameters, such as s+,- states or the state of dx^2-y^2 symmetry. Other pairing states may appear on small pockets for long range interactions, but they are expected to be sensitive to defects. We identify the competing antiferromagnetic order with the triplet exciton transition in the semi- metallic background and discuss whether its coexistence with superconductivity explains the doping dependence of Tc.
High-temperature (high-$T_{\rm c}$) superconductivity appears as a consequence of the carrier-doping of an undoped parent compound exhibiting antiferromagnetic order; thereby, ground-state properties of the parent compound are closely relevant to the superconducting state. On the basis of the concept, a spin-fluctuation has been addressed as an origin of pairing of the superconducting electrons in cuprates. Whereas, there is growing interest in the pairing mechanism such as an unconventional spin-fluctuation or an advanced orbital-fluctuation due to the characteristic multi-orbital system in i…
We perform transport measurements and band structure calculations of electron-doped LaFeAsO1-xHx over a wide range of x from 0.01 to 0.66. The T^2 and sqrt(T) dependency of the resistivity are observed at x ~ 0.17 and 0.41, respectively. The sign change of RH without opening of the spin-density-wave gap for 0.45 < x < 0.58 and T < TN as well as the calculated non-nested Fermi surface at x = 0.5 indicate the more localized nature of the AF2 as compared to spin density wave phase at non-doped sample. Considering the results from band calculations and the finite size of Hund' s rule coupling, the…
The structural, electronic, and magnetic properties of the superconducting NdFeAsO$_{1-x}$F$_{x}$ phases ($T_C=43 {\rm K}$ for $x=0.15$) have been investigated experimentally by high-resolution synchrotron x-ray powder diffraction, magnetization and $^{75}$As NMR measurements. Density-functional calculations were performed to calculate and analyze the electric field gradient and the density of states. Compared to LaFeAsO family, the NdFeAsO family shows a contraction of the lattice parameters with shorter rare-earth (RE)-As bond distances, an increased thickness of the As-Fe$_2$-As layer, and …
We study the electronic instabilities of doped bilayer silicene using the random phase approximation. In contrast to the singlet $d+id'$ superconductivity at the low doping region, we find that the system is an itinerant ferromagnet in the narrow doping regions around the Van Hove singularities, and a triplet $p+ip'$ superconductor in the vicinity of these regions. Adding a weak Kane-Mele spin-orbit coupling to the system further singles out the time-reversal invariant equal-spin helical $p+ip'$ pairing as the leading instability. The triplet pairing identified here is driven by the ferromagne…
We report the synthesis and characterization of antimony doped oxypnictide superconductor, LaO0.8F0.2FeAs1-xSbx (x = 0.05 and 0.10). The parent compound LaOFeAs with fluorine doping exhibits superconductivity at maximum transition temperature ~ 28.5 K [11]. Here we partially substitute As by Sb (LaO0.8F0.2FeAs1-xSbx) and observe enhancement of the transition temperature to 30.1 K. This is the only instance so far where Tc increases with doping in the conducting layer (FeAs) and this leads to the highest transition temperature in any La-based oxypnictide. XRD and EDAX measurements confirm phase…
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…
High-resolution and high-flux neutron as well as X-ray powder-diffraction experiments were performed on the oxypnictide series LaO(1-x)FxFeAs with 0<x<0.15 in order to study the crystal and magnetic structure. The magnetic symmetry of the undoped compound corresponds to those reported for ReOFeAs (with Re a rare earth) and for AFe2As2 (A=Ba, Sr) materials. We find an ordered magnetic moment of 0.63(1)muB at 2 K in LaOFeAs, which is significantly larger than the values previously reported for this compound. A sizable ordered magnetic moment is observed up to a F-doping of 4.5% whereas there is …
We report experimental results of ^{75}As and ^{139}La nuclear magnetic resonance (NMR) in the iron-based layered La(O_{1-x}F_{x})FeAs (x= 0.0, 0.04 and 0.11) system. In the undoped LaOFeAs, 1/T_1 of ^{139}La exhibits a distinct peak at T_N ~ 142 K below which the spectra become broadened due to the internal magnetic field attributed to an antiferromagnetic (AFM) ordering. In the 4% F-doped sample, 1/T_1T exhibits a Curie-Weiss temperature dependence down to 30 K, suggesting the development of AFM spin fluctuations with decreasing temperature. In the 11% F-doped sample, in contrast, pseudogap …
We demonstrated experimentally a direct way to probe a hidden propensity to the formation of spin density wave (SDW) in a non-magnetic metal with strong Fermi surface nesting. Substituting Fe for a tiny amount of Cu (1%) induced an incommensurate magnetic order below 20 K in heavily-overdoped La2-xSrxCuO4 (LSCO). Elastic neutron scattering suggested that this order cannot be ascribed to the localized spins on Cu or doped Fe. Angle-resolved photoemission spectroscopy (ARPES), combined with numerical calculations, revealed a strong Fermi surface nesting inherent in the pristine LSCO that likely …
We report the synthesis and characterization of a new electron-doped La-oxypnictide superconductor by partial substitution of lanthanum by thorium. The superconducting transition temperature at about 30.3 K was observed in La0.8Th0.2OFeAs which is the highest in La-based oxypnictide superconductors synthesized at ambient pressure. We find that the decrease in lattice parameters with Th doping in LaOFeAs is more drastic as compared to that obtained by high pressure (6 GPa) synthesis of oxygen deficient LaOFeAs. The resistivity and magnetic susceptibility measurements yield an upper critical fie…
We report optical spectroscopic measurements on electron- and hole-doped BaFe2As2. We show that the compounds in the normal state are not simple metals. The optical conductivity spectra contain, in addition to the free carrier response at low frequency, a temperature-dependent gap-like suppression at rather high energy scale near 0.6 eV. This suppression evolves with the As-Fe-As bond angle induced by electron- or hole-doping. Furthermore, the feature becomes much weaker in the Fe-chalcogenide compounds. We elaborate that the feature is caused by the strong Hund's rule coupling effect between …
The Fe-based Oxypnicide superconductors have generated a huge amount of interest; they are a high temperature superconductor, with a Tc of 55K, but do not have the two dimensional copper oxygen layer that was thought essential for superconductivity at these high temperatures. Initial studies have hinted towards the possibility of a spin density wave (SDW) in these compounds and how they could play an important role in the superconductivity. SDW's occur at low temperatures in low-dimensional materials with strong electron correlations or in metals with a high density of states at the Fermi surf…
Fluoride-doped iron-based oxypnictides containing rare-earth gadolinium (GdFeAsO0.8F0.2) and co-doping with yttrium (Gd0.8Y0.2FeAsO0.8F0.2) have been prepared via conventional solid state reaction at ambient pressure. The non-yttrium substituted oxypnictide show superconducting transition as high as 43.9 K from temperature dependent resistance measurements with the Meissner effect observed at a lower temperature of 40.8 K from temperature dependent magnetization measurements. By replacing a small amount of gadolinium with yttrium Tc was observed to be lowered by 10 K which might be caused by a…
We report single crystal synthesis, specific heat and resistivity measurements and electronic structure calculations for BaCr$_2$As$_2$. This material is a metal with itinerant antiferromagnetism, similar to the parent phases of Fe-based high temperature superconductors, but differs in magnetic order. Comparison of bare band structure density of states and the low temperature specific heat implies a mass renormalization of $\sim$ 2. BaCr$_2$As$_2$ shows stronger transition metal - pnictogen covalency than the Fe compounds, and in this respect is more similar to BaMn$_2$As$_2$. This provides an…
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…
Based on the {\it ab-initio} band structure for Na$_x$CoO$_2$ we derive the single-electron energies and the effective tight-binding description for the $t_{2g}$ bands using projection procedure. Due to the presence of the next-nearest-neighbor hoppings a local minimum in the electronic dispersion close to the $Γ$ point of the first Brillouin zone forms. Correspondingly, in addition to a large Fermi surface an electron pocket close to the $Γ$ point emerges at high doping concentrations. The latter yields the new scattering channel resulting in a peak structure of the itinerant magnetic suscept…
We use inelastic neutron scattering to systematically investigate the Ni-doping evolution of the low-energy spin excitations in BaFe2-xNixAs2 spanning from underdoped antiferromagnet to overdoped superconductor (0.03< x < 0.18). In the undoped state, the low-energy (<80 meV) spin waves of BaFe2As2 form transversely elongated ellipses in the [H, K] plane of the reciprocal space. Upon Ni-doping, the c-axis magnetic exchange coupling is rapidly suppressed and the momentum distribution of spin excitations in the [H, K] plane is enlarged in both the transverse and longitudinal directions with respe…
The fluorine-doped rare-earth iron oxypnictide series SmFeAsO$_{1-x}$F$_x$ (0 $\leq x \leq$ 0.10) was investigated with high resolution powder x-ray scattering. In agreement with previous studies, the parent compound SmFeAsO exhibits a tetragonal-to-orthorhombic structural distortion at T$\rm{_{S}}$~=~130~K which is rapidly suppressed by $x \simeq$ 0.10 deep within the superconducting dome. The change in unit cell symmetry is followed by a previously unreported magnetoelastic distortion at 120~K. The temperature dependence of the thermal expansion coefficient $α_{V}$ reveals a rich phase diagr…
The recently discovered high-temperature superconductivity in doped quaternary iron oxypnictides correlates experimentally with a magnetic instability. We have used first-principles calculations to determine a magnetic phase diagram of ReO$_{1-δ}$FeAs (Re=La--Dy) as a function of the doping $δ$, of the FeAs in-plane lattice constant $a$, and of the distance between the Fe and As planes, that is qualitatively consistent with recent experimental findings on the doping, internal (chemical) and external pressure dependence. The existence of a tricritical point (TCP) in the phase diagram suggests n…
Starting from {\it ab-initio} band structure for Na$_x$CoO$_2$, we derive the single-electron energies and the effective tight-binding description for the $t_{2g}$ bands using a projection procedure. We find that due to the presence of the next-nearest-neighbor hoppings a local minimum in the electronic dispersion close to the $Γ$ point of the first Brillouin zone forms. Therefore, in addition to a large Fermi surface an electron pocket close to the $Γ$ point emerges at high doping concentrations. The latter yields the new scattering channel resulting in a peak structure of the itinerant magne…
We report the results from resistivity and magnetic measurements on polycrystalline Ce oxypnictide (CeFeAsO1-xFx) samples where x spans from 0.13 to 0.25. We find that the orbital limiting field is as high as 150 T and it systematically decreases with increasing doping. The Maki parameter is greater than one across the phase diagram and the large Maki parameter suggests that orbital and Pauli limiting effects contribute to the upper critical field. The broadening of the superconducting transition in the resistivity data was interpreted using the thermally activated flux flow (TAFF) model where…
A simple model of cuprate superconductivity with an electron spectrum prepared by doping is developed. The pair-transfer interaction couples the itinerant band with two components ("hot'' and "cold'') of the defect subsystem. There are basic defect-itinerant gaps quenched by progressive doping. Band overlaps appear as novel sources for critical doping concentrations. Insulator to metal transitions in the normal state are expected here. Minimal quasiparticle excitation energies determine the pseudo- and superconducting gaps according to the doping-dependent disposition of bands. Two pseudogaps …
We analyze the metallic (pi,0) antiferromagnetic state of a five-orbital model for iron superconductors. We find that with increasing interactions the system does not evolve trivially from the pure itinerant to the pure localized regime. Instead we find a region with a strong orbital differentiation between xy and yz, which are half-filled gapped states at the Fermi level, and itinerant zx, 3z^2-r^2 and x^2-y^2. We argue that orbital ordering between yz and zx orbitals arises as a consequence of the interplay of the exchange energy in the antiferromagnetic x direction and the kinetic energy ga…
We use neutron scattering to study magnetic excitations near the antiferromagnetic wave vector in the underdoped single-layer cuprate HgBa2CuO4+δ (superconducting transition temperature Tc ~ 88 K, pseudogap temperature T* ~ 220 K). The response is distinctly enhanced below T* and exhibits a Y-shaped dispersion in the pseudogap state, whereas the superconducting state features an X-shaped (hourglass) dispersion and a further resonance-like enhancement. A large spin gap of about 40 meV is observed in both states. This phenomenology is reminiscent of that exhibited by bilayer cuprates. The resona…
The electronic structure and magnetism of a new magnetic intercalation compound (Li0.8Fe0.2)OHFeSe are investigated theoretically. The electronic structure calculations predict that the Fe in the (Li,Fe)OH intercalated layer is in +2 valence state, i.e. there is electron doping to the FeSe layer, resulting in the shrinking of the Fermi surface (FS) pocket around Gamma and a strong suppression of dynamical spin susceptibility at M in comparison with the bulk FeSe compound. The ground state of the FeSe layer is a striped antiferromagnetic (SAFM) metal, while the (Li,Fe)OH layer displays a very w…
We report a complete multicomponent mean-field-theory for the coexistence and competition of charge ordering (CO), antiferromagnetic (AFM) and ferromagnetic (FM) spin ordering in the presence of a uniform magnetic field. Doping the AFM or CO state always generates a ferromagnetic component. Itinerant FM, AFM and CO, necessarily coexist and compete in a particle-hole asymmetric system. Melting of large AFM-CO orders by small magnetic fields and the related phenomenon of Colossal Magnetoresistance (CMR) may arise whenever the CO and AFM order parameters have similar magnitude and momentum struct…
We have systematically studied the substitution of nonmagnetic Zn and magnetic Ni at iron sites in Ce based oxypnictide. The parent compound (CeOFeAs) shows an anomaly in resistivity around 150 K due to structural transition from tetragonal (space group: P4/nmm) to orthorhombic structure (space group: Cmma). Substitution of Zn suppresses this anomaly to lower temperature (~130 K) but Ni substitution does not show any anomaly around this temperature and the compound behaves like a metal. Further, we find that non magnetic (Zn) doping leads to higher impurity scattering as compared to magnetic N…
The temperature dependence of electron spin resonance (ESR) was studied in the oxypnictide superconductors LaFeAsO$_{1-x}$F$_x$ (x = 0.0 and 0.13). In the samples, the ESR signal indicates that the g factor and peak-to-peak linewidth strongly depend on temperature, especially at low temperatures. It indicates a strong coupling picture with existence of local moment. The dependence mentioned above gradually attenuates, and tends to saturation around room-temperature. This behavior could be ascribed to "bottleneck" effect due to coupling of local moment and itinerant electron. In addition, a Cur…
The spin gap evolution upon Ca doping in Sr14-xCaxCu24O41 was systematically investigated using inelastic neutron scattering. We discover that the singlet-triplet spin gap excitation survives in this series with x up to 13, indicating the singlet dimer ground state in these compounds. This observation corrects the previous speculation that the spin gap collapses at x~13 by the NMR technique. The strong intensity modulation along QH in x=0 gradually evolves into a Q-independent feature in x>11. This could be attributed to the localized Cu moment magnetism developing into an itinerant magnetism …
Using intrinsic multiple Andreev reflections effect (IMARE) spectroscopy, we studied SnS contacts in the layered oxypnictide superconductors Sm$_{1-x}$Th$_x$OFeAs with various thorium doping and critical temperatures $T_C = 21-54$ K. We observe a scaling between both superconducting gaps and $T_C$. The determined BCS-ratio for the large gap $2Δ_L/k_BT_C = 5.0-5.7$ and its eigen BCS-ratio (in a hypothetical case of zero interband coupling) $2Δ_L/k_BT_C^L = 4.1-4.6$ both exceeding the weak-coupling limit 3.52, and for the small gap $2Δ_S/k_BT_C = 1.2-1.6$ remain nearly constant within all the $T…
We have performed an isovalent substitution study in a layered titanium oxypnictide system BaTi$_{2}$(Sb$_{1-x}$Bi$_{x}$)$_{2}$O (0$\leq x\leq$ 0.40) by the measurements of x-ray diffraction, electrical resistivity and magnetic susceptibility. The parent compound BaTi$_{2}$Sb$_{2}$O is confirmed to exhibit superconductivity at 1.5 K as well as charge- or spin-density wave (CDW/SDW) ordering below 55 K. With the partial substitution of Sb by Bi, the lattice parameters $a$, $c$ and $c/a$ all increase monotonically, indicating negative chemical pressure and lattice distortion on the (super)conduc…
The evolution of electronic (spin and charge) excitations upon carrier doping is an extremely important issue in superconducting layered cuprates and the knowledge of its asymmetry between electron- and hole-dopings is still fragmentary. Here we combine x-ray and neutron inelastic scattering measurements to track the doping dependence of both spin and charge excitations in electron-doped materials. Copper L3 resonant inelastic x-ray scattering spectra show that magnetic excitations shift to higher energy upon doping. Their dispersion becomes steeper near the magnetic zone center and deeply mix…
A direct and element-specific measurement of the local Fe spin moment has been provided by analyzing the Fe 3s core level photoemission spectra in the parent and optimally doped CeFeAsO1-xFx (x = 0, 0.11) and Sr(Fe1 xCox)2As2 (x = 0, 0.10) pnictides. The rapid time scales of the photoemission process allowed the detection of large local spin moments fluctuating on a 10-15 s time scale in the paramagnetic, anti-ferromagnetic and superconducting phases, indicative of the occurrence of ubiquitous strong Hund's magnetic correlations. The magnitude of the spin moment is found to vary significantly …
The zero temperature value of the in-plane London penetration depth, $λ_{ab}(0)$, has been measured in single crystals of Ba(Fe$_{1-x}$Co$_x$)$_2$As$_2$ as a function of the Co concentration, $x$, across both the underdoped and overdoped superconducting regions of the phase diagram. For $x\gtrsim0.047$, $λ_{ab}(0)$ has been found to have values between 120 $\pm$ 50~nm and 300 $\pm$ 50~nm. A pronounced increase in $λ_{ab}(0)$, to a value as high as 950 $\pm$ 50~nm, has been observed for $x\lesssim0.047$, corresponding to the region of the phase diagram where the itinerant antiferromagnetic and …
Different models for doping of two-orbital chains with mobile $S=1/2$ fermions and strong, ferromagnetic (FM) Hund's rule couplings stabilizing the S=1 spins are investigated by density matrix renormalization group (DMRG) methods. The competition between antiferromagnetic (AF) and FM order leads to a rich phase diagram with a narrow FM region for weak AF couplings and strongly enhanced triplet pairing correlations. Without a level difference between the orbitals, the spin gap persists upon doping, whereas gapless spin excitations are generated by interactions among itinerant polarons in the pr…
Various angle-dependent measurements in hole-doped cuprates suggested that Non-Fermi liquid (NFL) and Fermi-liquid (FL) self-energies coexist in the Brillouin zone. Moreover, it is also found that NFL self-energies survive up to the overdoped region where the resistivity features a global FL-behavior. To address this problem, here we compute the momentum dependent self-energy from a single band Hubbard model. The self-energy is calculated self-consistently by using a momentum-dependent density-fluctuation (MRDF) method. One of our main result is that the computed self-energy exhibits a NFL-lik…
Density functional calculations are used to investigate the doping dependence of the electronic structure and magnetic properties in hexagonal Na$_x$CoO$_2$. The electronic structure is found to be highly two dimensional, even without accounting for the structural changes associated with hydration. At the local spin density approximation level, a weak itinerant ferromagnetic state is predicted for all doping levels in the range $x=0.3$ to $x=0.7$, with competing but weaker itinerant antiferromagnetic solutions. The Fermi surface, as expected, consists of simple rounded hexagonal cylinders, wit…
We have performed high resolution x-ray scattering measurements on single crystal samples of Ba(Fe(1-x)Cr(x))2As2 (x = 0 to 0.335). These measurements examine the effect of Cr-doping on the high temperature tetragonal (I4/mmm) to low temperature orthorhombic (Fmmm) structural phase transition of the parent compound BaFe2As2. Increasing Cr concentration is found to suppress the structural transition temperature (Ts), and reduce the magnitude of the orthorhombic strain (delta). The doping dependence of the orthorhombic strain, combined with complementary measurements of the high temperature magn…
We study the phase diagram of the Hubbard model in the weak-coupling limit for coexisting spin-density-wave order and spin-fluctuation-mediated superconductivity. Both longitudinal and transverse spin fluctuations contribute significantly to the effective interaction potential, which creates Cooper pairs of the quasi-particles of the antiferromagnetic metallic state. We find a dominant $d_{x^2-y^2}$-wave solution in both electron- and hole-doped cases. In the quasi-spin triplet channel, the longitudinal fluctuations give rise to an effective attraction supporting a $p$-wave gap, but are overco…
In the electron doped compounds SrFe_(2-x)Co_xAs_2 superconductivity with T_c up to 20 K is observed for 0.2 < x < 0.4. Results of structure determination, magnetic susceptibility, electrical resistivity, and specific heat are reported. The observation of bulk superconductivity in all thermodynamic properties -- despite strong disorder in the Fe-As layer -- favors an itinerant picture in contrast to the cuprates and renders a p- or d-wave scenario unlikely. DFT calculations find that the substitution of Fe by Co (x > 0.3) leads to the suppression of the magnetic ordering present in SrFe_2As_2 …
$A$Co$_2$Se$_2$ ($A$=K,Rb,Cs) is a homologue of the iron-based superconductor, $A$Fe$_2$Se$_2$. From a comprehensive study of RbCo$_2$Se$_2$ via measurements of magnetization, transport, neutron diffraction, angle-resolved photoemission spectroscopy, and first-principle calculations, we identify a ferromagnetic order accompanied by an orbital-dependent spin-splitting of the electronic dispersions. Furthermore, we identify the ordered moment to be dominated by a $d_{x^2-y^2}$ flatband near the Fermi level, which exhibits the largest spin splitting across the ferromagnetic transition, suggesting…
We use time-of-flight (ToF) inelastic neutron scattering (INS) spectroscopy to investigate the doping dependence of magnetic excitations across the phase diagram of NaFe$_{1-x}$Co$_x$As with $x=0, 0.0175, 0.0215, 0.05,$ and $0.11$. The effect of electron-doping by partially substituting Fe by Co is to form resonances that couple with superconductivity, broaden and suppress low energy ($E\le 80$ meV) spin excitations compared with spin waves in undoped NaFeAs. However, high energy ($E> 80$ meV) spin excitations are weakly Co-doping dependent. Integration of the local spin dynamic susceptibility…
