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J. Schmalian

Publications and source records attributed to J. Schmalian.

At least 37 records · Page 2Linked to original sources

Preemptive nematic order, pseudogap, and orbital order in the iron pnictides

Starting from a microscopic itinerant model, we derive and analyze the effective low-energy model for collective magnetic excitations in the iron pnictides. We show that the stripe magnetic order is generally preempted by an Ising-nematic order which breaks $C_{4}$ lattice symmetry but preserves O(3) spin-rotational symmetry. This leads to a rich phase diagram as function of doping, pressure, and elastic moduli, displaying split magnetic and nematic tri-critical points. The nematic transition may instantly bring the system to the verge of a magnetic transition, or it may occur first, being followed by a magnetic transition at a lower temperature. In the latter case, the preemptive nematic transition is accompanied by either a jump or a rapid increase of the magnetic correlation length, triggering a pseudogap behavior associated with magnetic precursors. Furthermore, due to the distinct orbital character of each Fermi pocket, the nematic transition also induces orbital order. We compare our results to various experiments, showing that they correctly address the changes in the character of the magneto-structural transition across the phase diagrams of different compounds, as well as the relationship between the orthorhombic and magnetic order parameters.

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What controls the phase diagram and superconductivity in Ru substituted BaFe$_2$As$_2$?

We use high resolution angle-resolved photoemission to study the electronic structure of the iron based high-temperature superconductors Ba(Fe$_{1-x}$Ru$_x$)$_2$As$_2$ as a function of Ru concentration. We find that substitution of Ru for Fe is isoelectronic, i. e., it does not change the value of the chemical potential. More interestingly, there are no measured, significant changes in the shape of the Fermi surface or in the Fermi velocity over a wide range of substitution levels ($0<x<0.55$). Given that the suppression of the antiferromagnetic and structural phase has been associated with the emergence of the superconducting state, Ru substitution must achieve this via a mechanism that does not involve changes of the Fermi surface. We speculate that this mechanism relies on magnetic dilution which leads to the reduction of the effective Stoner enhancement.

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Effect of tensile stress on the in-plane resistivity anisotropy in BaFe2As2

The effect of uniaxial tensile stress and the resultant strain on the structural/magnetic transition in the parent compound of the iron arsenide superconductor, BaFe$_2$As$_2$, is characterized by temperature-dependent electrical resistivity, x-ray diffraction and quantitative polarized light imaging. We show that strain induces a measurable uniaxial structural distortion above the first-order magnetic transition and significantly smears the structural transition. This response is different from that found in another parent compound, SrFe$_2$As$_2$, where the coupled structural and magnetic transitions are strongly first order. This difference in the structural responses explains the in-plain resistivity anisotropy above the transition in BaFe$_2$As$_2$. This conclusion is supported by the Ginzburg-Landau - type phenomenological model for the effect of the uniaxial strain on the resistivity anisotropy.

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A comparative study of the electronic and magnetic properties of BaFe_2As_2 and BaMn_2As_2 using the Gutzwiller approximation

To elucidate the role played by the transition metal ion in the pnictide materials, we compare the electronic and magnetic properties of BaFe_{2}As_{2} with BaMn_{2}As_{2}. To this end we employ the LDA+Gutzwiller method to analyze the mass renormalizations and the size of the ordered magnetic moment of the two systems. We study a model that contains all five transition metal 3d orbitals together with the Ba-5d and As-4p states (ddp-model) and compare these results with a downfolded model that consists of Fe/Mn d-states only (d-model). Electronic correlations are treated using the multiband Gutzwiller approximation. The paramagnetic phase has also been investigated using LDA+Gutzwiller method with electron density self-consistency. The renormalization factors for the correlated Mn 3d orbitals in the paramagnetic phase of BaMn_{2}As_{2} are shown to be generally smaller than those of BaFe_{2}As_{2}, which indicates that BaMn_{2}As_{2} has stronger electron correlation effect than BaFe_{2}As_{2}. The screening effect of the main As 4p electrons to the correlated Fe/Mn 3d electrons is evident by the systematic shift of the results to larger Hund's rule coupling J side from the ddp-model compared with those from the d-model. A gradual transition from paramagnetic state to the antiferromagnetic ground state with increasing J is obtained for the models of BaFe_{2}As_{2} which has a small experimental magnetic moment; while a rather sharp jump occurs for the models of BaMn_{2}As_{2}, which has a large experimental magnetic moment. The key difference between the two systems is shown to be the d-level occupation. BaMn_{2}As_{2}, with approximately five d-electrons per Mn atom, is for same values of the electron correlations closer to the transition to a Mott insulating state than BaFe_{2}As_{2}. Here an orbitally selective transition, required for a system with close to six electrons only occurs at significantly larger values for the Coulomb interactions.

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Magnetic resonance from the interplay of frustration and superconductivity

Motivated by the iron-based superconductors, we develop a self-consistent electronic theory for the itinerant spin excitations in the regime of coexistence of the antiferromagnetic stripe order with wavevector ${\bf Q}_{1} = (π,0)$ and $s^{+-}$ superconductivity. The onset of superconductivity leads to the appearance of a {\em magnetic} resonance near the wavevector ${\bf Q}_{2} = (0,π)$ where magnetic order is absent. This resonance is isotropic in spin space, unlike the excitations near ${\bf Q}_{1}$ where the magnetic Goldstone mode resides. We discuss several features which can be observed experimentally.

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Character of the structural and magnetic phase transitions in the parent and electron doped BaFe2As2 compounds

We present a combined high-resolution x-ray diffraction and x-ray resonant magnetic scattering (XRMS) study of as-grown BaFe2As2. The structural/magnetic transitions must be described as a two-step process. At T_S = 134.5 K we observe the onset of a second-order structural transition from the high-temperature paramagnetic tetragonal structure to a paramagnetic orthorhombic phase, followed by a discontinuous step in the structural order parameter that is coincident with a first-order antiferromagnetic (AFM) transition at T_N = 133.75 K. These data, together with detailed high-resolution x-ray studies of the structural transition in lightly doped Ba(Fe{1-x}Co{x})2As2 and Ba(Fe{1-x}Rh{x})2As2 compounds, show that the structural and AFM transitions do, in fact, occur at slightly different temperatures in the parent BaFe2As2 compound, and evolve towards split secondorder transitions as the doping concentration is increased. We estimate the composition for the tricritical point for Co-doping and employ a mean-field approach to show that our measurements can be explained by the inclusion of an anharmonic term in the elastic free energy and magneto-elastic coupling in the form of an emergent Ising-nematic degree of freedom.

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Anomalies in the Fermi surface and band dispersion of quasi-one-dimensional CuO chains in the high-temperature superconductor YBa2Cu4O8

We have investigated the electronic states in quasi one dimensional (1D) CuO chains by microprobe Angle Resolved Photoemission Spectroscopy. We find that the quasiparticle Fermi surface consists of six disconnected segments, consistent with recent theoretical calculations that predict the formation of narrow, elongated Fermi surface pockets for coupled CuO chains. In addition, we find a strong renormalization effect with a significant kink structure in the band dispersion. The properties of this latter effect [energy scale (~40 meV), temperature dependence and behavior with Zn-doping] are identical to those of the bosonic mode observed in CuO2 planes of high temperature superconductors, indicating they have a common origin.

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Importance of Fermi surface topology for high temperature superconductivity in electron-doped iron arsenic superconductors

We used angle resolved photoemission spectroscopy and thermoelectric power to study the poorly explored, highly overdoped side of the phase diagram of Ba(Fe1-xCox)2As2 high temperature superconductor. Our data demonstrate that several Lifshitz transitions - topological changes of the Fermi surface - occur for large x. Tc starts to decrease with doping when the cylindrical, central hole pocket changes to ellipsoids centering at the Z point, and goes to zero before these ellipsoids disappear around x = 0.2. Changes in thermoelectric power occur at similar x-values. Beyond this doping level the central pocket changes to electron-like and superconductivity does not exist. Our observations reveal the crucial importance of the underlying Fermiology in this class of materials. A necessary condition for superconductivity is the presence of the central hole pockets rather than perfect nesting between central and corner pockets.

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Unconventional pairing in the iron arsenide superconductors

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 conclusions. Our findings strongly suggest that superconductivity is unconventional in all members of the iron arsenide family.

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Anomalous suppression of the orthorhombic distortion in superconducting Ba[Fe(1-x)Cox]2As2

High-resolution x-ray diffraction measurements reveal an unusually strong response of the lattice to superconductivity in Ba[Fe(1-x)Cox]2As2. The orthorhombic distortion of the lattice is suppressed and, for Co-doping near x = 0.063, the orthorhombic structure evolves smoothly back to a tetragonal structure. We propose that the coupling between orthorhombicity and superconductivity is indirect and arises due to the magneto-elastic coupling, in the form of emergent nematic order, and the strong competition between magnetism and superconductivity.

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Unusual Fermi surface nesting in parent compounds of iron arsenic high temperature superconductors revealed by Angle Resolved Photoemission Spectroscopy

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 unusual incommensurate nesting of the Fermi surface in the a-b plane that is present only at low temperatures. We speculate that this is a signature of a failed Charge Density Wave (CDW) state that was predicted by renormalization group studies.

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Pairing Symmetry and Pairing State in Ferropnictides: Theoretical Overview

We review the main ingredients for an unconventional pairing state in the ferropnictides, with particular emphasis on interband pairing due to magnetic fluctuations. Summarizing the key experimental prerequisites for such pairing, the electronic structure and nature of magnetic excitations, we discuss the properties of the s+/- state that emerges as a likely candidate pairing state for these materials and survey experimental evidence in favor of and against this novel state of matter.

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The London penetration depth in single crystals of Ba(Fe_{1-x}Co_x)_2As_2 at various doping levels

The London penetration depth $λ(T)$ has been measured in single crystals of Ba(Fe$_{1-x}$Co$_{x}$)$_{2}$As$_{2}$ using the tunnel diode resonator technique. The measured doping levels of $x=$~0.038, 0.047, 0.058, 0.074 and 0.10 range from underdoped to overdoped concentrations. The measurements have shown that the density of carriers participating in superconductivity decreases sharply in the underdoped regime, but the penetration depth as a function of temperature exhibits a robust power law, $Δλ(T)\sim T^{n}$, for all measured dopings, with $n$ between 2 and 2.5. We discuss the implications of these results and possible interpretations of such robust behavior.

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Unconventional London penetration depth in Ba(Fe0.93Co0.07)2As2 single crystals

The London penetration depth, $λ(T)$, has been measured in several single crystals of Ba(Fe$_{0.93}$Co$_{0.07}$)$_2$As$_2$. Thermodynamic, electromagnetic, and structural characterization measurements confirm that these crystals are of excellent quality. The observed low temperature variation of $λ(T)$ follows a power-law, $Δλ(T) \sim T^n$ with $n=2.4 \pm 0.1$, indicating the existence of normal quasiparticles down to at least $0.02T_c$. This is in contrast to recent penetration depth measurements on single crystals of NdFeAsO$_{1-x}$F$_x$ and SmFeAsO$_{1-x}$F$_x$, which indicate an anisotropic but nodeless gap. We propose that a more three-dimensional character in the electronic structure of Ba(Fe$_{0.93}$Co$_{0.07}$)$_2$As$_2$ may lead to an anisotropic $s-$wave gap with point nodes that would explain the observed $λ(T)$.

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Momentum dependence of the superconducting gap in NdFeAsO1-xFx single crystals measured by angle resolved photoemission spectroscopy

We use angle resolved photoemission spectroscopy (ARPES) to study the momentum dependence of the superconducting gap in NdFeAsO1-xFx single crystals. We find that the Gamma hole pocket is fully gapped below the superconducting transition temperature. The value of the superconducting gap is 15 +- 1.5 meV and its anisotropy around the hole pocket is smaller than 20% of this value. This is consistent with an isotropic or anisotropic s-wave symmetry of the order parameter or exotic d-wave symmetry with nodes located off the Fermi surface sheets. This is a significant departure from the situation in the cuprates, pointing to possibility that the superconductivity in the iron arsenic based system arises from a different mechanism.

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^{7}Li NMR Study of Heavy Fermion LiV2O4 Containing Magnetic Defects

We present a systematic study of the variations of the ^{7}Li NMR properties versus magnetic defect concentration up to 0.83 mol% within the spinel structure of polycrystalline powder samples and a collection of small single crystals of LiV2O4 in the temperature range from 0.5 to 4.2 K. We also report static magnetization measurements and ac magnetic susceptibility measurements at 14 MHz on the samples at low temperatures. Both the NMR spectrum and nuclear spin-lattice relaxation rate are inhomogeneous in the presence of the magnetic defects. The NMR data for the powders are well explained by assuming that (i) there is a random distribution of magnetic point defects, (ii) the same heavy Fermi liquid is present in the samples containing the magnetic defects as in magnetically pure LiV2O4, and (iii) the influences of the magnetic defects and of the Fermi liquid on the magnetization and NMR properties are separable. In the single crystals, somewhat different behaviors are observed. Remarkably, the magnetic defects in the powder samples show evidence of spin freezing below T ~ 1.0 K, whereas in the single crystals with similar magnetic defect concentration no spin freezing was found down to 0.5 K. Thus different types of magnetic defects and/or interactions between them appear to arise in the powders versus the crystals, possibly due to the substantially different synthesis conditions of the powders and crystals.

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Emergent Symmetry and Dimensional Reduction at a Quantum Critical Point

We show that the spatial dimensionality of the quantum critical point associated with Bose--Einstein condensation at T=0 is reduced when the underlying lattice comprises a set of layers coupled by a frustrating interaction. For this purpose, we use an heuristic mean field approach that is complemented and justified by a more rigorous renormalization group analysis. Due to the presence of an emergent symmetry, i.e. a symmetry of the ground state that is absent in the underlying Hamiltonian, a three--dimensional interacting Bose system undergoes a chemical potential tuned quantum phase transition that is strictly two dimensional. Our theoretical predictions for the critical temperature as a function of the chemical potential correspond very well with recent measurements in BaCuSi$_{2}$O$_{6}$.

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