In the framework of four-band model of superconductivity in iron arsenides proposed by Barzykin and Gor'kov we analyze the gap ratios on hole - like and electron - like Fermi - surface cylinders. It is shown that experimentally observed (ARPES) gap ratios can be obtained only within rather strict limits on the values of pairing coupling constants. The difference of T_c values in 1111 and 122 systems is reasonably explained by the relative values of partial densities of states. The multiple bands electronic structure of these systems leads to a significant enhancement of effective pairing coupling constant determining T_c, so that high enough T_c values can be achieved even for the case of rather small intraband and interband pairing interactions.
A new layered iron arsenide NaFeAs isostructural with the superconducting lithium analogue, displays evidence for the coexistence of superconductivity and magnetic ordering.
New iron-arsenide superconductors of REFeAsO1-delta (RE = Ho, Y, Dy and Tb) were successfully synthesized by a high pressure synthesizing method with a special rapid quenching process, with the onset superconducting critical temperatures at 50.3 K, 46.5 K, 52.2K and 48.5 K for RE = Ho, Y, Dy and Tb respectively.
An overview of the crystal structures and physical properties of the recently discovered iron-platinum-arsenide superconductors, Ca10(PtnAs8)(Fe2-xPtxAs2)5 (n = 3 and 4), which have a superconducting transition temperature up to 38 K, is provided. The crystal structure consists of superconducting Fe2As2 layers alternating with platinum-arsenic layers, PtnAs8. The upper critical field Hc2, hydrostatic pressure dependence of superconducting transition temperature Tc, and normal-state magnetic susceptibility are reported.
We study the phase diagram of a microscopic model for the superconducting iron arsenides by means of a functional renormalization group. Our treatment establishes a connection between a strongly simplified two-patch model by Chubukov et al. and a five-band- analysis by Wang et al.. For a wide parameter range, the dominant pairing instability occurs in the extended s-wave channel. The results clearly show the relevance of pair scattering between electron and hole pockets. We also give arguments that the phase transition between the antiferromagnetic phase for the undoped system and the supercon…
We synthesized new layered iron arsenide oxides (Fe2As2)(Sr4(Sc,Ti)3O8),(Fe2As2)(Ba4Sc3O7.5), and (Fe2As2)(Ba3Sc2O5). The crystal structures of these compounds are tetragonal with a space group of I4/mmm. The structure of (Fe2As2)(Sr4(Sc,Ti)3O8) and (Fe2As2)(Ba4Sc3O7.5) consists of the alternate stacking of antifluorite Fe2As2 layers and triple perovskite-type oxide layers. The interlayer distance between the Fe planes of (Fe2As2)(Ba4Sc3O7.5) is ~18.7 A. Moreover, the a-axis of (Fe2As2)(Ba3Sc2O5) is the longest among the layered iron pnictides, indicating the structural flexibility of the laye…
We report the $^{75}$As-NQR and NMR studies on the iron arsenide superconductor Li$_{x}$FeAs with $T_{\rm c} \sim 17$ K. The spin lattice relaxation rate, $1/T_{1}$, decreases below $T_{\rm c}$ without a coherence peak, and can be fitted by gaps with s$^{\pm}$-wave symmetry in the presence of impurity scattering. In the normal state, both $1/T_{1}T$ and the Knight shift decrease with decreasing temperature but become constant below $T \leq 50 K$. Estimate of the Korringa ratio shows that the spin correlations are weaker than that in other families of iron arsenides, which may account for the l…
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…
A new layered iron arsenide oxide (Fe2As2)(Ca4(Mg,Ti)3Oy) was discovered. Its crystal structure is tetragonal with a space group of I4/mmm consisted of the anti-fluorite type FeAs layer and blocking layer of triple perovskite cells and is identical with (Fe2As2)(Sr4(Sc,Ti)3O8) discovered in our previous study. The lattice constants of (Fe2As2)(Ca4(Mg,Ti)3Oy) are a = 3.877 A and c = 33.37 A. This compound exhibited bulk superconductivity up to 43 K in susceptibility measurement without intentional carrier doping. A resistivity drop was observed at ~47 K and zero resistance was achieved at 42 K.…
EuFe2As2 is a member of the ternary iron arsenide family. Similar to BaFe2As2 and SrFe2As2, EuFe2As2 exhibits a clear anomaly in resistivity near 200 K. It suggests that EuFe2As2 is another promising parent compound in which superconductivity may be realized by appropriate doping. Here we report the discovery of superconductivity in Eu0.7Na0.3Fe2As2 by partial substitution of the europium site with sodium. ThCr2Si2 tetragonal structure, as expected for EuFe2As2, is formed as the main phase for the composition Eu0.7Na0.3Fe2As2. Resistivity measurement reveals a transition temperature as high as…
We report superconductivity in novel iron-based compounds Ca10(PtnAs8)(Fe2-xPtxAs2)5 with n = 3 and 4. Both compounds crystallize in triclinic structures (space group P-1), in which Fe2As2 layers alternate with PtnAs8 spacer layers. Superconductivity with a transition temperature of 38 K is observed in the n = 4 compound with a Pt content of x ~ 0.36 in the Fe2As2 layers. The compound with n = 3 exhibits superconductivity at 13 K.
A new iron-based superconductor (Ca,Pr)FeAs2 was discovered. Plate-like crystals of the new phase were obtained and crystal structure was investigated by single-crystal X-ray diffraction analysis. The structure was identified as the monoclinic system with space group P21/m, and is composed of two Ca(Pr) planes, anti-fluorite Fe2As2 layers, and As2 zigzag chain layers. Plate-like crystals composed of the new phase showed superconductivity with Tc ~20 K in both magnetization and resistivity measurements.
We propose a unified description of cuprate and iron-based superconductivity. Consistency with magnetic structure inferred from neutron scattering implies significant constraints on the symmetry of the pairing gap for the iron-based superconductors. We find that this unification requires the orbital pairing formfactors for the iron arsenides to differ fundamentally from those for cuprates at the microscopic level.
Polycrystalline samples of the layered iron arsenides Sr2CrO3FeAs and Ba2ScO3FeAs were synthesized by high temperature solid state reactions and their crystal structures determined by the X-ray powder diffraction. Their structures are tetragonal (P4/nmm; Sr2CrO3FeAs: a = 391.12(1) pm, c = 1579.05(3) pm; Ba2ScO3FeAs: a = 412.66(5) pm, c = 1680.0(2) pm, Z = 2) and isotypic to Sr2ScO3CuS. Iron arsenide layers are sandwiched between perowskite-like oxide blocks and separated by ~1600 pm, which is much larger compared to the 1111 iron arsenide superconductors. The bond length and angles within the …
The palladium-iron-arsenides Ca10(Fe1-xPdxAs)10(Pd3As8) were synthesized by solid state methods and characterized by X-ray powder and single crystal diffraction. The triclinic crystal structure (space group P-1) is isotypic to the homologue platinum 1038 type superconductors with alternating FeAs4/4- and Pd3As8-layers, each separated by layers of calcium atoms. Iron is tetrahedral and palladium is planar coordinated by four arsenic atoms. As2-dimers (dAs-As = 250 pm) are present in the Pd3As8-layer. Even though each layer itself has a fourfold rotational symmetry, the shifted layer stacking ca…
Utilizing the high stability of calcium and rare earth hydrides, CaFeAsF1-xHx (x = 0.0-1.0) and SmFeAsO1-xHx (x = 0.0-0.47) have been first synthesized using high pressure to form hydrogen-substituted 1111 type iron-arsenide superconductors. Neutron diffraction and density functional calculations have demonstrated that the hydrogens are incorporated as H- ions occupying F- sites in the blocking layer of CaFeAsF. The resulting CaFeAsF1-xHx is non-superconducting, whereas SmFeAsO1-xHx is a superconductor, with an optimal Tc = 55 K at x 0.2. It was found that up to 40% of the O2- ions can be repl…
Using a local real-space microscopy probe, we discover evidence of nanoscale interlayer defects along the c-crystallographic direction in BaFe2As2 (122) based iron-arsenide superconductors. We find ordered 122 atomic arrangements within the ab-plane, and within regions of ~10 to 20 nm size perpendicular to this plane. While the FeAs substructure is very rigid, Ba ions are relatively weakly bound and can be displaced from the 122, forming stacking faults resulting in the physical separation of the 122 between adjacent ordered domains. The evidence for interlayer defects between the FeAs superco…
Previous experimental results have shown important differences between iron selenide and arsenide superconductors, which seem to suggest that the high temperature superconductivity in these two subgroups of iron-based family may arise from different electronic ground states. Here, we report the complete phase diagram of a newly synthesized superconducting (SC) system (Li1-xFex)OHFeSe with a similar structure to FeAs-based superconductors. In the non-SC samples, an antiferromagnetic (AFM) spin-density-wave (SDW) transition occurs at ~127 K. This is the first example to demonstrate such an SDW p…
The 1111-type iron arsenide hydride CaFe1-xCoxAsH was synthesized by high-pressure solid-state reaction, and its electronic structure and superconducting properties were investigated. Bulk superconductivity was observed at x = 0.07-0.26. A maximum superconducting critical temperature Tcmax of 23 K was observed at x = 0.07. These values are in agreement with those of CaFe1-xCoxAsF. The calculated Fermi surface of CaFeAsH has a small three-dimensional 3D hole pocket around the Gamma point. This is a result of weak covalent bonding between the As 4p and H 1s orbitals. No such covalency exists in …
Commonalities among the order parameters of the ubiquitous antiferromagnetism present in the parent compounds of the iron arsenide high temperature superconductors are explored. Additionally, comparison is made between the well established two-dimensional Heisenberg-Ising magnet, K$_2$NiF$_4$ and iron arsenide systems residing at a critical point whose structural and magnetic phase transitions coincide. In particular, analysis is presented regarding two distinct classes of phase transition behavior reflected in the development of antiferromagnetic and structural order in the three main classes…
We report 75As-NMR/NQR results on new iron-arsenide compounds (La0.5-xNa0.5+x)Fe2As2. The parent compound x=0 exhibits a stripe-type antiferromagnetic (AFM) order below T_N=130 K. The measurement of nuclear spin relaxation rate at hole-doped x=+0.3 and heavily electron-doped x=-0.5 revealed that the normal-state properties are dominated by AFM spin fluctuations (AFMSFs), which are more significant at x=+0.3 than at x=-0.5. Their superconducting (SC) phases are characterized by unconventional multi-gap SC state, where the smaller SC gaps are particularly weaken in common. The experimental resul…
We report temperature-dependent pair distribution function measurements of Sr$_{1-x}$Na$_{x}$Fe$_2$As$_2$, an iron-based superconductor system that contains a magnetic phase with reentrant tetragonal symmetry, known as the magnetic $C_4$ phase. Quantitative refinements indicate that the instantaneous local structure in the $C_4$ phase is comprised of fluctuating orthorhombic regions with a length scale of $\sim$2 nm, despite the tetragonal symmetry of the average static structure. Additionally, local orthorhombic fluctuations exist on a similar length scale at temperatures well into the parama…
Here we report the synthesis and discovery of superconductivity in a novel ternary iridium-arsenide compound BaIr2As2. The polycrystalline BaIr2As2 sample was synthesized by a high temperature and high pressure method. Crystal structural analysis indicates that BaIr2As2 crystallizes in the ThCr2Si2-type layered tetragonal structure with space group I4/mmm (No. 139), and the lattice parameters were refined to be a = 4.052(9) Å and c = 12.787(8) Å. By the electrical resistivity and magnetic susceptibility measurements we found type-II superconductivity in the new BaIr2As2 compound with a Tc (cri…
The magnetism in SrFe2As2 can be suppressed by electron doping through a small substitution of Fe by Co or Ni, giving way to superconductivity. We demonstrate that a massive substitution of Fe by isovalent ruthenium similarly suppresses the magnetic ordering in SrFe2-xRuxAs2 and leads to bulk superconductivity for 0.6 <= x <= 0.8. Magnetization, electrical resistivity, and specific heat data show Tc up to approx 20K. Detailed structural investigations reveal a strong decrease of the lattice parameter ratio c/a with increasing x. DFT band structure calculations are in line with the observation …
We present extensive 75As NMR and NQR data on the superconducting arsenides PrFeAs0.89F0.11 (Tc=45 K), LaFeAsO0.92F0.08 (Tc=27 K), LiFeAs (Tc = 17 K) and Ba0.72K0.28Fe2As2 (Tc = 31.5 K) single crystal, and compare with the nickel analog LaNiAsO0.9F0.1 (Tc=4.0 K) . In contrast to LaNiAsO0.9F0.1 where the superconducting gap is shown to be isotropic, the spin lattice relaxation rate 1/T1 in the Fe-arsenides decreases below Tc with no coherence peak and shows a step-wise variation at low temperatures. The Knight shift decreases below Tc and shows a step-wise T variation as well. These results ind…
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…
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 …
Using a combination of linear response theory and constrained orbital hybridization approach, we study the mechanism of magnetic exchange interaction of iron-based superconductor. We reproduce the observed highly anisotropic exchange interaction, and our constrain-orbital calculation unambiguously identifies that the anisotropic feature of exchange interaction is not sensitive to the unequal d$_{xz}$/d$_{yz}$ orbital population.
The discovery of superconducting materials has led to their use in technological marvels such as magnetic-field sensors in MRI machines, powerful research magnets, short transmission cables, and high-speed trains. Despite such applications, the uses of superconductors are not widespread because they function much below room-temperature, hence the costly cooling. Since the discovery of Cu- and Fe-based high-temperature superconductors (HTS), much intense effort has tried to explain and understand the superconducting phenomenon. While no exact explanations are given, several trends are reported …
The superconducting fluctuations well inside the normal state of Fe-based superconductors were studied through measurements of the in-plane paraconductivity and magnetoconductivity in high quality BaFe(2-x)NixAs2 crystals with doping levels from the optimal (x=0.10) up to the highly overdoped (x=0.20). These measurements, performed in magnetic fields up to 9 T perpendicular to the ab (Fe) layers, allowed a reliable check of the applicability to iron-based superconductors of Ginzburg-Landau approaches for 3D anisotropic compounds, even at high reduced temperatures and magnetic fields. Our resul…
Y. M. Dai et al. in their recent work arXiv:1106.4430 presented a reflectivity study of the in-plance optical conductivity of a $\textrm{Ba}_{0.6}\textrm{K}_{0.4}\textrm{Fe}_2\textrm{As}_2$ (BKFA) superconductor with $T_{\textrm{c}}\approx39K$. The single crystals used in this study are of high quality and the measurements are rather accurate. The authors analyzed the optical conductivity of BKFA in the framework of the Mattis-Bardeen theory and the BCS theory of superconductivity. This analysis, however, generates a series of severe contradictions with a large body of experimental data obtain…
The upper critical field Hc2 anisotropy of Ca10(PtnAs8)(Fe2-xPtxAs2)5 (n = 3, 4) single crystals with long FeAs interlayer distance (d) was studied by angular dependent resistivity measurements. A scaling of the angular dependent resistivity was realized for both single crystals using the anisotropic Ginzburg-Landau (AGL) approach with an appropriate anisotropy parameter γ. The AGL scaling parameter γ increases with decreasing temperature and reaches a value of about 10 at 0.8Tc for both single crystals. These values are much larger than those of other iron-based superconductors (FeSCs). Remar…
We introduce a first principles approach to determine the strength of the electronic correlations based on the fully self consistent GW approximation. The approach provides a seamless interface with dynamical mean field theory, and gives good results for well studied correlated materials such as NiO. Applied to the recently discovered iron arsenide materials, it accounts for the noticeable correlation features observed in optics and photoemission while explaining the absence of visible satellites in X-ray absorption experiments and other high energy spectroscopies.
Iron arsenide superconductors based on the material LaFeAsO1-xFx are characterized by a two-dimensional Fermi surface (FS) consisting of hole and electron pockets yielding structural and antiferromagnetic transitions at x = 0. Electron doping by substituting O2- with F- suppresses these transitions and gives rise to superconductivity with a maximum Tc = 26 K at x = 0.1. However, the over-doped region cannot be accessed due to the poor solubility of F- above x = 0.2. Here we overcome this problem by doping LaFeAsO with hydrogen. We report the phase diagram of LaFeAsO1-xHx (x < 0.53) and, in add…
The ternary iron arsenide BaFe2As2 becomes superconducting by hole doping, which was achieved by partial substitution of the barium site with potassium. We have discovered bulk superconductivity up to Tc = 38 K in (Ba1-xKx)Fe2As2 with x = 0.4. The parent compound BaFe2As2 as well as KFe2As2 both crystallize in the tetragonal ThCr2Si2-type structure, which consists of (FeAs)- iron arsenide layers separated by barium or potassium ions. BaFe2As2 is a poor metal and exhibits a SDW anomaly at 140 K. By substituting Ba2+ for K+ ions we have introduced holes in the (FeAs)- layers, which suppress the …
We report 75As-NMR measurements of the ternary iron arsenide BaFe2As2. 75As-NMR spectra clearly revealed that magnetic transition occurs at around 131 K in our samples, which corresponds to the emergence of spin density wave. Temperature dependence of the internal magnetic field suggests that the transition is likely of the first order. The critical-slowing-down phenomenon in the spin-lattice relaxation rate 1/T1 is not pronounced in this material.
The new quaternary iron arsenide-fluoride SrFeAsF with the tetragonal ZrCuSiAs-type structure was synthesized and the crystal structure was determined by X-ray powder diffraction (P4/nmm, a = 399.30(1), c = 895.46(1) pm). SrFeAsF undergoes a structural and magnetic phase transition at 175 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 (P4/nmm) to orthorhombic (Cmme). 57Fe Moessbauer spectroscopy experiments show a single signal at room temperature at a…
A novel feature of the iron arsenides is the magnetoelastic coupling between the long wavelength in-plane strains of the lattice and the collective spin fluctuations of the electrons near the magnetic ordering wavevectors. Here, we study its microscopic origin from an electronic model with nested Fermi pockets and a nominal interaction. We find the couplings diverge with a power-law as the system is tuned to perfect nesting. Furthermore, the theory reveals how nematicity is boosted by nesting. These results are relevant for other systems with nesting driven density wave transitions.
The normal state of the iron arsenides shows the poor metallic behavior mixed with strong magnetic fluctuations. In particular, some FeAs-1111 and FeAs-122 compounds show the linear-T dependence of susceptibility above the spin-density wave (SDW) transition and the logarithmic upturn of resistivity at low temperatures. We suggest that this is due to the spin-flip scattering between the charge carriers and the local moments in the undoped FeAs layer where Kondo effect coexists with the SDW. This scenario is also accounted for the change of the magnetoresistance from positive to negative in the …
We investigate the superconducting pairing instabilities of eight-band models for the iron arsenides. Using a functional renormalization group treatment, we determine how the critical energy scale for superconductivity depends on the electronic band structure. Most importantly, if we vary the parameters from values corresponding to LaFeAsO to SmFeAsO, the pairing scale is strongly enhanced, in accordance with the experimental observation. We analyze the reasons for this trend and compare the results of the eight-band approach to those found using five-band models.
We use magnetic long range order as a tool to probe the Cooper pair wave function in the iron arsenide superconductors. We show theoretically that antiferromagnetism and superconductivity can coexist in these materials only if Cooper pairs form an unconventional, sign-changing state. The observation of coexistence in Ba(Fe$_{1-x}$Co$_{x}$)$_{2}$As$_{2}$ then demonstrates unconventional pairing in this material. The detailed agreement between theory and neutron diffraction experiments, in particular for the unusual behavior of the magnetic order below $T_{c}$, demonstrates the robustness of our…
In this paper we report the fabrication and superconducting properties of GdO$_{1-x}$F$_{x}$FeAs. It is found that when x is equal to 0.17, GdO$_{0.83}$F$_{0.17}$FeAs is a superconductor with the onset transition temperature T$_{c}^{on}\approx$ 36.6K. Resistivity anomaly near 130K was observed for all samples up to x = 0.17, such a phenomenon is similar to that of LaO$_{1-x}$F$_{x}$FeAs. Hall coefficient indicates that GdO$_{0.83}$F$_{0.17}$FeAs is conducted by electron-like charge carriers.
We use point contact spectroscopy (PCS) to probe the superconducting properties of electron doped $\rm{Ba(Fe_{1-x}Co_x)_2As_2}$ ($\rm{x = 0.05, 0.055, 0.07, 0.08}$) and hole doped $\rm{Ba_{0.8}K_{0.2}Fe_2As_2}$. PCS directly probes the low energy density of states via Andreev reflection, revealing two distinct superconducting gaps in both compound families. Apart from the electron underdoped $\rm{Ba(Fe_{1-x}Co_{x})_2As_2}$, the excess current due to Andreev reflection for the compounds follows the typical BCS temperature dependence. For underdoped $\rm{Ba(Fe_{1-x}Co_{x})_2As_2}$, the temperatu…
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 …
We explore theoretically impurity states in the antiferromagnetic spin-density wave state of the iron arsenide. Two types of impurity models are employed: one has only the intraband scattering while the other has both the intraband and interband scattering with the equal strength. Interestingly, the impurity bound state is revealed around the impurity site in the energy gap for both models. However, the impurity state is doubly degenerate with respect to spin for the first case; while the single impurity state is observed in either the spin-up or spin-down channel for the second one. The impur…
We have discovered new layered oxyarsenides (Fe2As2)(Sr4M2O6) (M = Sc, Cr: M-22426). These materials are isostructural with (Fe2P2)(Sr4Sc2O6), which was found in our previous study. The new compounds are tetragonal with a space group of P4/nmm and consist of the anti-fluorite type FeAs layer and perovskite-type blocking layer. The lattice constants are a = 4.050 A, c = 15.809 A for M = Sc and a = 3.918 A, c = 15.683 A for M = Cr. These compounds have long interlayer Fe-Fe distances corresponding to the c-axis length, the 15.8 A in Sc-22426 is the longest in the iron-based oxypnictide systems. …
We report the field and temperature dependence of the low-temperature specific heat down to 400 mK and in magnetic fields up to 9 T of the electron-doped Ba(Fe0.92Co0.08)2As2 superconductor. Using the phonon specific heat obtained from pure BaFe2As2 we find the normal state Sommerfeld coefficient to be 18 mJ/mol.K^2 and a condensation energy of 1.27 J/mol. The temperature dependence of the electronic specific heat clearly indicate the presence of the low-energy excitations in the system. The magnetic field variation of field-induced specific heat cannot be described by single clean s- or d-wav…
The 1144 iron arsenide (e.g. CaKFe4As4) has recently been discovered and inspired a tide of search for superconductors. Such far, the discovered compounds are confined to iron arsenides (ABFe4As4), where A and B are either alkali metals or alkaline earth elements. In this work, we propose two directions in searching 1144 structures: (i) using tri-valence cations for A; (ii) substituting the transition metal, e.g. replacing Fe by Co. Following the two directions, we employ density functional theory to study stability and electronic structures of 1144 pnictides of various tri-valence cations (La…
We investigated the effects of phosphorus substitution on the shape of the Tc(x) dome in 1111-type SmFeAs1-yPyO1-xHx (0 < x < 0.5). Hydride ion substitution of oxide sites (O2- -> H-) exerts a chemical pressure effect, i.e., a structural reduction of the Pn-Fe-Pn angle α (Pn = P, As) and also dopes electrons into the FePn layer to induce superconductivity. Isovalent phosphorus substitution (P3- -> As3-) can induce only a chemical pressure effect, i.e., an increase of α for La-substitution of Sm-sites. As y increases from 0.0 to 0.5, the single Tc dome gradually splits into two domes, similar t…
Since the discovery of superconductivity\cite{1} at 26 K in oxy-pnictide $LaFeAsO_{1-x}F_x$, enormous interests have been stimulated in the fields of condensed matter physics and material sciences. Among the five different structures in this broad type of superconductors\cite{2,3,4,5,6}, the ZrCuSiAs structure has received special attention since the $T_c$ has been quickly promoted to 55-56 K\cite{7,8,9,10,11} in fluorine doped oxy-pnictides REFeAsO (RE = rare earth elements). The superconductivity can also be induced by applying a high pressure to the undoped samples\cite{12,13}. The mechanis…
Within the Landau paradigm of continuous phase transitions, ordered states of matter are characterized by a broken symmetry. Although the broken symmetry is usually evident, determining the driving force behind the phase transition is often a more subtle matter due to coupling between otherwise distinct order parameters. In this paper we show how measurement of the divergent nematic susceptibility of an iron pnictide superconductor unambiguously distinguishes an electronic nematic phase transition from a simple ferroelastic distortion. These measurements also reveal an electronic nematic quant…
We theoretically examine anisotropy of in-plane resistivity in the striped antiferromagnetic phase of an iron arsenide superconductor by applying a memory function approach to the ordered phase with isotropic nonmagnetic impurity. We find that the anisotropy of the scattering rate is independent of carrier density when the topology of the Fermi surface is changed after the introduction of holes. On the other hand, the anisotropy of the Drude weight monotonically decreases reflecting the distortion of the Dirac Fermi surface and eventually leads to the reverse of anisotropy of resistivity, bein…
This work is provoked by recent discovery of new class prototype systems AFFeAs (A=Sr,Ca) of novel layered ironpnictide High-Tc superconductors (Tc=36K). Here we report ab initio LDA results for electronic structure of the AFFeAs systems. We provide detailed comparison between electronic properties of both new systems and reference LaOFeAs (La111) compound. In the vicinity of the Fermi level all three systems have essentially the same band dispersions. However for iron fluoride systems F(2p) states were found to be separated in energy from As(4p) ones in contrast to La111, where O(2p) states s…
In the present study we have examined the effect of negative chemical pressure in iron pnictides. We have synthesized substitution series replacing arsenic by antimony in a number of 1111- and 122-iron arsenides and present their crystallographic and physical properties. The SDW transition temperature in LaFeAs$_{\mathrm{1-x}}$Sb$_{\mathrm{x}}$O decreases with increasing antimony content, while the superconducting transition temperature in LaFeAs$_{\mathrm{1-x}}$Sb$_{\mathrm{x}}$O$_{\mathrm{0.85}}$F$_{\mathrm{0.15}}$ initially increases with Sb substitution. 1111-compounds with samarium instea…
We use elastic and inelastic neutron scattering to systematically investigate the evolution of the low-energy spin excitations of the iron arsenide superconductor BaFe2-xNixAs2 as a function of nickel doping x. In the undoped state, BaFe2As2 exhibits a tetragonal-to-orthorhombic structural phase transition and simultaneously develops a collinear antiferromagnetic (AF) order below TN = 143 K. Upon electron-doping of x = 0.075 to induce bulk superconductivity with Tc = 12.3 K, the AF ordering temperature reduces to TN = 58 K.We show that the appearance of bulk superconductivity in BaFe1.925Ni0.0…
A new iron arsenide superconducting system LiFeAs was found that crystallizes into a tetragonal structure with space group P4/nmm. The superconductivity with Tc up to 18 K was observed in the compounds. This simple 111 type layered iron arsenide superconductor can be viewed as an analogue of the infinite layer structure of copper oxides.
Superconductivity was achieved in Ti-doped iron-arsenide compound Sr4Cr0.8Ti1.2O6Fe2As2 (abbreviated as Cr-FeAs-42622). The x-ray diffraction measurement shows that this material has a layered structure with the space group of \emph{P4/nmm}, and with the lattice constants a = b = 3.9003 A and c = 15.8376 A. Clear diamagnetic signals in ac susceptibility data and zero-resistance in resistivity data were detected at about 6 K, confirming the occurrence of bulk superconductivity. Meanwhile we observed a superconducting transition in the resistive data with the onset transition temperature at 29.2…
Hydrogen is the simplest bipolar element and its valence state can be controlled from +1 to -1. We synthesized the 1111-type CaFeAsH and LnFeAsO1-xHx (Ln = lanthanide) with the ZrCuSiAs type structure by a high-pressure synthesis method. The position and valence state of the substituted H were determined by neutron diffraction and density functional theory calculations. The close similarity in the structural and electrical properties of CaFeAsH and CaFeAsF indicated the formation of the hydride ion (H-), which is isovalent with the fluoride ion (F-), in the 1111-type iron arsenides. When some …
Non-Fermi-liquid (NFL) phenomena associated with correlation effects have been widely observed in the phase diagrams of unconventional superconducting families. Exploration of the correlation between the normal state NFL, regardless of its microscopic origins, and the superconductivity has been argued as a key to unveiling the mystery of the high-Tc pairing mechanism. Here we systematically investigate the pressure-dependent in-plane resistivity and Hall coefficient (RH ) of a high-quality 112-type Fe-based superconductor Ca1-xLaxFe1-yCoyAs2 (x = 0.2,y = 0.02). With increasing pressure, the no…
The interplay of magnetism and superconductivity (SC) has been a focus of interest in condensed matter physics for decades. EuFe2As2 has been identified as a potential platform to investigate interactions between structural, magnetic, electronic effects as well as coexistence of magnetism and SC with similar transition temperatures. However, there are obvious inconsistencies in the reported phase diagrams of Eu(Fe1-xCox)2As2 crystals grown by different methods. For transition metal arsenide (TMA)-flux-grown crystals, even the existence of SC is open for dispute. Here we re-examine the phase di…
