We report muon-spin relaxation measurements of highly homogeneous samples of FeAs and FeAs2, both previously found as impurity phases in some samples of recently synthesized pnictide superconductors. We observe well defined muon precession in the FeAs sample with two precession frequencies of 38.2(3) and 22.7(9) MHz at 7.5 K, with the majority of the amplitude corresponding to the lower frequency component. In FeAs2 we confirm previous measurements showing that no long-ranged magnetic order occurs above 2 K and measure the muon spin relaxation rate, which increases on cooling. Our results exclude the possibility that previous muon-spin relaxation measurements of pnictide superconductors have been measuring the effect of these possible impurities.
One of the unifying concepts in the iron-pnictide superconductors, both for the mechanism of magnetic ordering and of unconventional order parameter character, has been the electron and hole Fermi surfaces that are approximately nested. Using the density functional methods that have predicted Fermi surfaces correctly in SrFe$_2$P$_2$, we find that the recently reported superconducting Sr$_2$VO$_3$FeAs, with $T_c$=37 K and no apparent competition between magnetism and superconductivity, possesses different Fermi surface geometry and character than previous classes of iron pnictides. The interve…
In most magnetically-ordered iron pnictides, the magnetic moments lie in the FeAs planes, parallel to the modulation direction of the spin stripes. However, recent experiments in hole-doped iron pnictides have observed a reorientation of the magnetic moments from in-plane to out-of-plane. Interestingly, this reorientation is accompanied by a change in the magnetic ground state from a stripe antiferromagnet to a tetragonal non-uniform magnetic configuration. Motivated by these recent observations, here we investigate the origin of the spin anisotropy in iron pnictides using an itinerant microsc…
Josephson junctions between a $FeAs$-based superconductor with antiphase s-wave pairing and a conventional s-wave superconductor are studied. The translational invariance in a planar junction between a single crystal pnictide and an aluminum metal greatly enhances the relative weight of electron pockets in the pnictide to the critical current. In a wide doping region of the pnictide, a planar and a point contact junctions have opposite phases, which can be used to design a tri-junction ring with $π$ phase to probe the antiphase pairing.
We describe the correlated electronic structure of a prototype Fe-pnictide superconductor, $SmO_{1-x}F_{x}FeAs$, using LDA+DMFT. Strong, multi-orbital electronic correlations generate a low-energy pseudogap in the undistorted phase, giving a bad, incoherent metal in qualitative agreement with observations. Very good semi-quantitative agreement with the experimental spectral functions is seen, and interpreted, within a correlated, multi-orbital picture. Our results show that Fe-pnictides should be understood as low-carrier density, incoherent metals, in resemblance to the underdoped cuprate sup…
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…
Once again the condensed matter world has been surprised by the discovery of yet another class of high temperature superconductors. The discovery of iron-pnictide (FeAs) and chalcogenide (FeSe) based superconductors with a $T_c$ of up to 55 K is again evidence of how complex the many body problem really is, or in another view how resourceful nature is. The first reactions would of course be that these new materials must in some way be related to the copper-oxide based superconductors for which a large number of theories exist although a general consensus regarding the correct theory has not ye…
The quantum transport of Dirac cone states in the iron pnictide Ba(FeAs)$_2$ with a d-\,multiband system is studied by using single crystal samples. The transverse magnetoresistance develops linearly against magnetic field at low temperatures. The transport phenomena are interpreted in terms of the 0$^{th}$ Landau level by applying the theory predicted by Abrikosov. The results of the semiclassical analyses of a two carrier system under low magnetic field limit show that both electron and hole reside as the high mobility states, being indicative to the fact that both electron- and hole Dirac c…
Recently, Andreev bound states in iron pnictide have been proposed as an experimental probe to detect the relative minus sign in the $s_\pm$-wave pairing. While previous theoretical investigations demonstrated the feasibility of the approach, the local density of states in the midgap regime is small, making the detection hard in experiments. We revisit this important problem from the Bogoliubov-de Gennes Hamiltonian on the square lattice with appropriate boundary conditions. Significant spectral weights in the midgap regime are spotted, leading to easy detection of the Andreev bound states in …
The recent discovery of iron-based superconductors challenges the existing paradigm of high-temperature superconductivity. Owing to their unusual multi-orbital band structure, magnetism, and electron correlation, theories propose a unique sign reversed s-wave pairing state, with the order parameter changing sign between the electron and hole Fermi pockets. However, because of the complex Fermi surface topology and material related issues, the predicted sign reversal remains unconfirmed. Here we report a novel phase-sensitive technique for probing unconventional pairing symmetry in the polycrys…
The electron spin resonance absorption spectrum of Eu^{2+} ions serves as a probe of the normal and superconducting state in Eu_{0.5}K_{0.5}Fe_2As_2. The spin-lattice relaxation rate 1/T_1^{\rm ESR} obtained from the ESR linewidth exhibits a Korringa-like linear increase with temperature above T_C evidencing a normal Fermi-liquid behavior. Below 45 K deviations from the Korringa-law occur which are ascribed to enhanced magnetic fluctuations within the FeAs layers upon approaching the superconducting transition. Below T_C the spin-lattice relaxation rate 1/T_1^{\rm ESR} follows a T^{1.5}-behavi…
The experimental transport scattering rate was determined for a wide range of optimally doped transition metal-substituted FeAs-based compounds with the ThCr2Si2 (122) crystal structure. The maximum transition temperature Tc for several Ba-, Sr-, and Ca-based 122 systems follows a universal rate of suppression with increasing scattering rate indicative of a common pair-breaking mechanism. Extraction of standard pair-breaking parameters puts a limit of \sim26 K on the maximum Tc for all transition metal-substituted 122 systems, in agreement with experimental observations, and sets a critical sc…
The multiband nature of iron-pnictide superconductors is one of the keys to the understanding of their intriguing behavior. The electronic and magnetic properties heavily rely on the multiband interactions between different electron and hole pockets near the Fermi level. At the fundamental level, though many theoretical models were constructed on the basis of the so-called 1-Fe Brillouin zone (BZ) with an emphasis of the basic square lattice of iron atoms, most electronic structure measurements were interpreted in the 2-Fe BZ. Whether the 1-Fe BZ is valid in a real system is still an open ques…
Non-trivial topology and unconventional pairing are two central guiding principles in the contemporary search for and analysis of superconducting materials and heterostructure compounds. Previously, a topological superconductor has been predominantly conceived to result from a topologically non-trivial band subject to intrinsic or external superconducting proximity effect. Here, we propose a new class of topological superconductors which are uniquely induced by unconventional pairing. They exhibit a boundary-obstructed higher-order topological character and, depending on their dimensionality, …
We discuss the novel superconducting characteristics and unusual normal-state properties of iron (Fe)-based pnictide superconductors REFeAsO$_{1-y}$ (RE=La,Pr,Nd) and Ba$_{0.6}$K$_{0.4}$Fe$_2$As$_2$($T_{c}=$ 38 K) by means of $^{57}$Fe-NMR and $^{75}$As-NQR/NMR. In the superconducting state of LaFeAsO$_{0.7}$ ($T_{c}=$ 28 K), the spin component of the $^{57}$Fe-Knight shift decreases to almost zero at low temperatures, which provide firm evidence of the superconducting state formed by spin-singlet Cooper pairing. The nuclear spin-lattice relaxation rates $(1/T_{1})$ in LaFeAsO$_{0.7}$ and Ba$_…
Muon spin relaxation (MuSR) measurements in iron oxy-pnictide systems have revealed: (1) commensurate long-range order in undoped LaOFeAs; (2) Bessel function line shape in La(O0.97F0.03)FeAs which indicates possible incommensurate or stripe magnetism; (3) anomalous weak magnetism existing in superconducting LaOFeP, Ce(O0.84F0.16)FeAs, and Nd(O0.88F0.12)FeAs but absent in superconducting La(O0.92F0.08)FeAs; and (4) scaling of superfluid density and Tc in the Ce, La, and Nd-FeAs superconductors following a nearly linear relationship found in cuprates.
We show that previously measured small Fermi surface pockets within the antiferromagnetic phase of SrFe2As2 and BaFe2As2 are consistent with a Dirac dispersion modulated by interlayer hopping, giving rise to a Dirac point in k-space and a cusp in the magnetic field angle-dependent magnetic quantum oscillation frequencies. These findings support the existence of a nodal spin-density wave in these materials, which could play an important role in protecting the metallic state against localization effects. The speed of the Dirac fermions in SrFe2As2 and BaFe2As2 is found to be 14-20 times slower t…
We show that the competition between magnetism and superconductivity can be used to determine the pairing state in the iron arsenides. To this end we demonstrate that the itinerant antiferromagnetic phase (AFM) and the unconventional $s^{+-}$ sign-changing superconducting state (SC) are near the borderline of microscopic coexistence and macroscopic phase separation, explaining the experimentally observed competition of both ordered states. In contrast, conventional $s^{++}$ pairing is not able to coexist with magnetism. Expanding the microscopic free energy of the system with competing orders …
We report a study of the Ca$_{0.73}$La$_{0.27}$FeAs$_2$ single crystals. We unravel a monoclinic to triclinic phase transition at 58 K, and a paramagnetic to stripe antiferromagnetic (AFM) phase transition at 54 K, below which spins order 45$^\circ$ away from the stripe direction. Furthermore, we demonstrate this material is substantially structurally untwinned at ambient pressure with the formation of spin rotation walls (S-walls). Finally, in addition to the central-hole and corner-electron Fermi pockets usually appearing in Fe pnictide superconductors, angle-resolved photoemission (ARPES) m…
The ionization energy theory is used to calculate the evolution of the resistivity and specific heat curves with respect to different doping elements in the recently discovered superconducting Pnictide materials. Subsequently, the electron-conduction mechanism in the Pnictides above the structural transition temperature is explained unambiguously, which is also consistent with other strongly correlated matter, such as cuprates, manganites, titanates and magnetic semiconductors. Therefore, the superconductivity is not uniquely corresponds to the electronic properties above the structural transi…
We report heat capacity measurements of the pnictide materials SmFeAsO$_{1-x}$F$_x$, NdFeAsO, LaFeAsO$_{1-x}$F$_x$ and LiFeAs. For SmFeAsO$_{1-x}$F$_x$, with x close to 0.1, we use 3 He measurements to demonstrate a transfer of entropy from the peak at TN to a previously unidentified ~2 K feature which grows with increasing doping. Our results on the Sm samples are compared with a similarly doped La sample to elucidate the crystal field levels of the Sm3+ ion at 0, 23, and 56 meV which lead to a Schottky-like anomaly, and also show that there is a significant increase in the Sommerfeld coeffic…
The recently discovered high-T$_c$ superconductor Ca$_{1-x}$La$_{x}$FeAs$_{2}$ is a unique compound not only because of its low symmetry crystal structure, but also because of its electronic structure which hosts Dirac-like metallic bands resulting from (spacer) zig-zag As chains. We present a comprehensive first principles theoretical study of the electronic and crystal structures of Ca$_{1-x}$La$_{x}$FeAs$_{2}$. After discussing the connection between the crystal structure of the 112 family, which Ca$_{1-x}$La$_{x}$FeAs$_{2}$ is a member of, with the other known structures of Fe pnictide sup…
The effect of pressure on the crystalline structure and superconducting transition temperature (Tc) of the 111-type Na1-xFeAs system using in situ high pressure synchrotron x-ray powder diffraction and diamond anvil cell techniques is studied. A pressure-induced tetragonal to tetragonal isostructural phase transition was found. The systematic evolution of the FeAs4 tetrahedron as a function of pressure based on Rietveld refinements on the powder x-ray diffraction patterns was obtained. The non-monotonic Tc(P) behavior of Na1-xFeAs is found to correlate with the anomalies of the distance betwee…
The iron-pnictide superconductors have a layered structureformed by stacks of FeAs planes from which the superconductivity originates. Given the multiband and quasi three-dimensional \cite{3D_SC} (3D) electronic structure of these high-temperature superconductors, knowledge of the quasi-3D superconducting (SC) gap is essential for understanding the superconducting mechanism. By using the \KZ-capability of angle-resolved photoemission, we completely determined the SC gap on all five Fermi surfaces (FSs) in three dimensions on \BKFAOP samples. We found a marked \KZ dispersion of the SC gap, whic…
In the Ca$_{1-x}$La$_x$FeAs$_2$ (112) family of pnictide superconductors, we have investigated a highly overdoped composition (x = 0.56), prepared by high-pressure, high-temperature synthesis. Magnetic measurements show an antiferromagnetic transition at TN = 120K, well above the one at lower doping (0.15 < x < 0.27). Below the onset of long-range magnetic order at TN, the electrical resistivity is strongly reduced and is dominated by electron-electron interactions, as evident from its temperature dependence. The Seebeck coefficient shows a clear metallic behavior as in narrow band conductors.…
We report the first ^{75}As-NMR study on a single crystal of the hole-doped iron-pnictide superconductor Ba_{0.7}K_{0.3}Fe_2As_{2} (T_c = 31.5 K). We find that the Fe antiferromagnetic spin fluctuations are anisotropic and are weaker compared to underdoped copper-oxides or cobalt-oxide superconductors. The spin lattice relaxation rate 1/T_1 decreases below T_c with no coherence peak and shows a step-wise variation at low temperatures, which is indicative of multiple superconducting gaps, as in the electron-doped Pr(La)FeAsO$_{1-x}$F$_{x}$. Furthermore, no evidence was obtained for a microscopi…
This paper explains the multi-orbital band structures and itinerant magnetism of the iron-pnictide and chalcogenides. We first describe the generic band structure of an isolated FeAs layer. Use of its Abelian glide-mirror group allows us to reduce the primitive cell to one FeAs unit. From density-functional theory, we generate the set of eight Fe $d$ and As $p$ localized Wannier functions for LaOFeAs and their tight-binding (TB) Hamiltonian, $h(k)$. We discuss the topology of the bands, i.e. allowed and avoided crossings, the origin of the d6 pseudogap, as well as the role of the As $p$ orbita…
We report results of inelastic-neutron-scattering measurements of low-energy spin-wave excitations in two structurally distinct families of iron-pnictide parent compounds: Na(1-δ)FeAs and BaFe2As2. Despite their very different values of the ordered magnetic moment and Néel temperatures, T_N, in the antiferromagnetic state both compounds exhibit similar spin gaps of the order of 10 meV at the magnetic Brillouin-zone center. The gap opens sharply below T_N, with no signatures of a precursor gap at temperatures between the orthorhombic and magnetic phase transitions in Na(1-δ)FeAs. We also find a…
