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The iron-based superconductors are an ideal platform to reveal the enigma of the unconventional superconductivity and potential topological superconductivity. Among them, the monolayer Fe(Se,Te)/SrTiO3(001), which is proposed to be topological nontrivial, shows interface-enhanced high-temperature superconductivity in the two dimensional limit. However, the experimental studies on the superconducting pairing mechanism of monolayer Fe(Se,Te) films are still limited. Here, by measuring quasiparticle interference in monolayer Fe(Se,Te)/SrTiO3(001), we report the observation of the anisotropic structure of the large superconducting gap and the sign change of the superconducting gap on different electron pockets. The results are well consistent with the 'bonding-antibonding' s+- wave pairing symmetry driven by spin fluctuations in conjunction with spin-orbit coupling. Our work is of basic significance not only for a unified superconducting formalism in the iron-based superconductors, but also for understanding of topological superconductivity in high-temperature superconductors.

The orbital multiplicity in multiband superconductors yields orbital differentiation in normal-state properties, and can lead to orbital-selective spin-fluctuation Cooper pairing. This phenomenon has become increasingly pivotal in clarifying the pairing 'enigma' particularly for multiband high-temperature superconductors. In one-unit-cell (1-UC) FeSe/SrTiO3, the thinnest and highest-Tc member of iron-based superconductors, the standard electron-hole Fermi pocket nesting scenario is apparently not applicable since the Gamma-centered hole pockets are absent, so the actual pairing mechanism is the subject of intense debate. Here, by measuring high-resolution Bogoliubov quasiparticle interference, we report observations of highly anisotropic magnetic Cooper pairing in 1-UC FeSe. From a theoretical point of view, it is important to incorporate effects of electronic correlations within a spin-fluctuation pairing calculation, where the dxy orbital becomes coherence-suppressed. The resulting pairing gap is compatible with the experimental findings, which suggests that high-Tc Cooper pairing with orbital selectivity applies to 1-UC FeSe. Our findings imply the general existence of orbital selectivity in iron-based superconductors and the universal importance of electron correlations in high-Tc superconductors.

The electronic structure of the enigmatic iron-based superconductor FeSe has puzzled researchers since spectroscopic probes failed to observe the expected electron pocket at the $Y$ point in the 1-Fe Brillouin zone. It has been speculated that this pocket, essential for an understanding of the superconducting state, is either absent or incoherent. Here, we perform a theoretical study of the preferred nematic order originating from nearest-neighbor Coulomb interactions in an electronic model relevant for FeSe. We find that at low temperatures the dominating nematic components are of inter-orbital $d_{xz}-d_{xy}$ and $d_{yz}-d_{xy}$ character, with spontaneously broken amplitudes for these two components. This inter-orbital nematic order naturally leads to distinct hybridization gaps at the $X$ and $Y$ points of the 1-Fe Brillouin zone, and may thereby produce highly anisotropic Fermi surfaces with only a single electron pocket at one of these momentum-space locations. The associated superconducting gap structure obtained with the generated low-energy electronic band structure from spin-fluctuation mediated pairing agrees well with that measured experimentally. Finally, from a comparison of the computed spin susceptibility to available neutron scattering data, we discuss the necessity of additional self-energy effects, and explore the role of orbital-dependent quasiparticle weights as a minimal means to include them., Comment: 8 pages, 5 figures + Appedices

We perform a theoretical study of the effects of electronic correlations on the superconducting gap structure of multi-band superconductors. In particular, by comparing standard RPA-based spin-fluctuation mediated gap structures to those obtained within the FLEX formalism for an iron-based superconductor, we obtain directly the feedback effects from electron-electron interactions on the momentum-space gap structure. We show how self-energy effects can lead to an orbital inversion of the orbital-resolved spin susceptibility, and thereby invert the hierarchy of the most important orbitals channels for superconducting pairing. This effect has important consequences for the detailed gap variations on the Fermi surface. We expect such self-energy feedback on the pairing gap to be generally relevant for superconductivity in strongly correlated multi-orbital systems., 8 pages, 5 figures

It has been hypothesized that the variation of the critical currents in Nb/Al-AlO$_x$/Nb junctions is due to, among other effects, the presence of grain boundaries in the system. Motivated by this, we examine the effect of grain boundaries on the critical current of a Josephson junction. We assume that the hopping amplitudes are dependent on the interatomic distance, and derive a physically realistic model of distance-dependent hopping amplitudes. We find that the presence of a grain boundary and associated disorder is responsible for a very large drop in the critical current relative to a clean system. We also find that when a tunnel barrier is present, grain boundaries cause substantial variations in the critical currents due to the disordered hoppings near the tunnel barrier. We discuss the applicability of these results to Josephson junctions presently intended for use in superconducting electronics applications., Comment: 10 pages, 11 figures, published version, includes minor changes

Emergent electronic phenomena in iron-based superconductors have been at the forefront of condensed matter physics for more than a decade. Much has been learned about the origin and intertwined roles of ordered phases, including nematicity, magnetism, and superconductivity, in this fascinating class of materials. In recent years, focus has been centered on the peculiar and highly unusual properties of FeSe and its close cousins. This family of materials has attracted considerable attention due to the discovery of unexpected superconducting gap structures, a wide range of superconducting critical temperatures, and evidence for nontrivial band topology, including associated spin-helical surface states and vortex-induced Majorana bound states. Here, we review superconductivity in iron chalcogenide superconductors, including bulk FeSe, doped bulk FeSe, FeTe$_{1-x}$Se$_x$, intercalated FeSe materials, and monolayer FeSe and FeTe$_{1-x}$Se$_x$ on SrTiO$_3$. We focus on the superconducting properties, including a survey of the relevant experimental studies, and a discussion of the different proposed theoretical pairing scenarios. In the last part of the paper, we review the growing recent evidence for nontrivial topological effects in FeSe-related materials, focusing again on interesting implications for superconductivity., Comment: review article, 57 pages, 23 figures

The internal structure of the superconducting state in ${\mathrm{Sr}}_{2}\mathrm{Ru}{\mathrm{O}}_{4}$ remains elusive at present, and exhibits evidence for time-reversal symmetry breaking. Recent muon spin relaxation measurements under uniaxial strain have revealed an increasing splitting between the superconducting critical temperature ${T}_{c}$ and the onset of time-reversal symmetry breaking ${T}_{\mathrm{TRSB}}$ with applied strain (Grinenko et al., arXiv:2001.08152). In addition, static magnetic order is induced by the uniaxial strain beyond $\ensuremath{\sim}1$ GPa, indicating that unstrained ${\mathrm{Sr}}_{2}\mathrm{Ru}{\mathrm{O}}_{4}$ is close to a magnetic quantum critical point. Here we perform a theoretical study of the magnetic susceptibility and the associated pairing structure as a function of uniaxial strain. It is found that the recent muon relaxation data can be qualitatively explained from the perspective of spin-fluctuation mediated pairing and the associated strain dependence of accidentally degenerate pair states in unstrained ${\mathrm{Sr}}_{2}\mathrm{Ru}{\mathrm{O}}_{4}$. In addition, while unstrained ${\mathrm{Sr}}_{2}\mathrm{Ru}{\mathrm{O}}_{4}$ features mainly $(2\ensuremath{\pi}/3,2\ensuremath{\pi}/3)$ magnetic fluctuations, uniaxial strain promotes $(\ensuremath{\pi},\ifmmode\pm\else\textpm\fi{}\ensuremath{\pi}/2)$ magnetic order.

We demonstrate that micrometer-scale spin waves can be excited in a thin film of the ferrimagnetic material yttrium iron garnet (YIG) using patterned, multi-element antennas. The magnitude of the dynamic magnetic field generated by such antennas decays exponentially along the thickness direction, and this leads to an enhanced coupling to modes having a surface-like character as opposed to a more sinusoidal bulk-like character. We have used this property to identify spin waves having a mixed bulk/surface character.

Complete theoretical understanding of the most complex superconductors requires a detailed knowledge of the symmetry of the superconducting energy-gap $${\mathrm{{\Delta}}}_{\mathbf{k}}^\alpha$$ Δ k α , for all momenta k on the Fermi surface of every band α. While there are a variety of techniques for determining $$|{\mathrm{{\Delta}}}_{\mathbf{k}}^\alpha |$$ ∣ Δ k α ∣ , no general method existed to measure the signed values of $${\mathrm{{\Delta}}}_{\mathbf{k}}^\alpha$$ Δ k α . Recently, however, a technique based on phase-resolved visualization of superconducting quasiparticle interference (QPI) patterns, centered on a single non-magnetic impurity atom, was introduced. In principle, energy-resolved and phase-resolved Fourier analysis of these images identifies wavevectors connecting all k-space regions where $${\mathrm{{\Delta}}}_{\mathbf{k}}^\alpha$$ Δ k α has the same or opposite sign. But use of a single isolated impurity atom, from whose precise location the spatial phase of the scattering interference pattern must be measured, is technically difficult. Here we introduce a generalization of this approach for use with multiple impurity atoms, and demonstrate its validity by comparing the $${\mathrm{{\Delta}}}_{\mathbf{k}}^\alpha$$ Δ k α it generates to the $${\mathrm{{\Delta}}}_{\mathbf{k}}^\alpha$$ Δ k α determined from single-atom scattering in FeSe where s± energy-gap symmetry is established. Finally, to exemplify utility, we use the multi-atom technique on LiFeAs and find scattering interference between the hole-like and electron-like pockets as predicted for $${\mathrm{{\Delta}}}_{\mathbf{k}}^\alpha$$ Δ k α of opposite sign.

We report the optical detection of magnons with a broad range of wavevectors in magnetic insulator Y3Fe5O12 thin films by proximate nitrogen-vacancy (NV) single-spin sensors. Through multi-magnon scattering processes, the excited magnons generate fluctuating magnetic fields at the NV electron spin resonance frequencies, which accelerate the relaxation of NV spins. By measuring the variation of the emitted spin-dependent photoluminescence of the NV centers, magnons with variable wavevectors up to ~ 5 x 10^7 m-1 can be optically accessed, providing an alternative perspective to reveal the underlying spin behaviors in magnetic systems. Our results highlight the significant opportunities offered by NV single-spin quantum sensors in exploring nanoscale spin dynamics of emergent spintronic materials., https://pubs.acs.org/doi/10.1021/acs.nanolett.0c00085

Understanding the origin of the magnetism of high temperature superconductors is crucial for establishing their unconventional pairing mechanism. Recently, theory predicts that FeSe is close to a magnetic quantum critical point, and thus weak perturbations such as impurities could induce local magnetic moments. To elucidate such quantum instability, we have employed scanning tunneling microscopy and spectroscopy. In particular, we have grown FeSe film on superconducting Pb(111) using molecular beam epitaxy and investigated magnetic excitation caused by impurities in the proximity-induced superconducting gap of FeSe. Our study provides a deep insight into the origin of the magnetic ordering of FeSe by showing the way local magnetic moments develop in response to impurities near the magnetic quantum critical point., Comment: 35 pages including main text and supplemental material

The Hubbard model is the simplest model that is believed to exhibit superconductivity arising from purely repulsive interactions, and has been extensively applied to explore a variety of unconventional superconducting systems. Here we study the evolution of the leading superconducting instabilities of the single-orbital Hubbard model on a two-dimensional square lattice as a function of onsite Coulomb repulsion $U$ and band filling by calculating the irreducible particle-particle scattering vertex obtained from dynamical cluster approximation (DCA) calculations, and compare the results to both perturbative Kohn-Luttinger (KL) theory as well as the widely used random phase approximation (RPA) spin-fluctuation pairing scheme. Near half-filling we find remarkable agreement of the hierarchy of the leading pairing states between these three methods, implying adiabatic continuity between weak- and strong-coupling pairing solutions of the Hubbard model. The $d_{x^2-y^2}$-wave instability is robust to increasing $U$ near half-filling as expected. Away from half filling, the predictions of KL and RPA at small $U$ for transitions to other pair states agree with DCA at intermediate $U$ as well as recent diagrammatic Monte Carlo calculations. RPA results fail only in the very dilute limit, where it yields a $d_{xy}$ ground state instead of a $p$-wave state established by diagrammatic Monte Carlo and low-order perturbative methods, as well as our DCA calculations. We discuss the origins of this discrepancy, highlighting the crucial role of the vertex corrections neglected in the RPA approach. Overall, comparison of the various methods over the entire phase diagram strongly suggests a smooth crossover of the superconducting interaction generated by local Hubbard interactions between weak and strong coupling., Comment: 9 pages, 5 figures

Correlated electron systems, particularly iron-based superconductors, are extremely sensitive to strain, which inevitably occurs in the crystal growth process. Built-in strain of this type has been proposed as a possible explanation for experiments where nematic order has been observed at high temperatures corresponding to the nominally tetragonal phase of iron-based superconductors. Strain is assumed to produce linear defect structures, e.g. dislocations, which are quite similar to O vacancy chainlets in the underdoped cuprate superconductor YBCO. Here we investigate a simple microscopic model of dislocations in the presence of electronic correlations, which create defect states that can drive magnetic anisotropy of this kind, if spin orbit interaction is present. We estimate the contribution of these dislocations to magnetic anisotropy as detected by current torque magnetometry experiments in both cuprates and Fe-based systems., Comment: 10 pages, 9 figures

The interplay between unconventional Cooper pairing and quantum states associated with atomic scale defects is a frontier of research with many open questions. So far, only a few of the high-temperature superconductors allow this intricate physics to be studied in a widely tunable way. We use scanning tunneling microscopy to image the electronic impact of Co atoms on the ground state of the LiFe1-xCoxAs system. We observe that impurities progressively suppress the global superconducting gap and introduce low energy states near the gap edge, with the superconductivity remaining in the strong-coupling limit. Unexpectedly, the fully opened gap evolves into a nodal state before the Cooper pair coherence is fully destroyed. Our systematic theoretical analysis shows that these new observations can be quantitatively understood by the nonmagnetic Born-limit scattering effect in an s±-wave superconductor, unveiling the driving force of the superconductor to metal quantum phase transition.

We study spin-fluctuation-mediated superconductivity in the one-band Hubbard model. Higher order effective interactions in $U$ give rise to a superconducting instability which is very sensitive to changes in the Fermi surface topology arising as a function of doping and changes in the band structure. We show the superconducting phase diagram as a function of doping and next-nearest neighbor hopping in the limit of very small Coulomb interaction strength and discuss peculiarities arising at the phase boundaries separating different superconducting domains., 6 pages, 4 figures

Superconductivity in FeSe emerges from a nematic phase that breaks four-fold rotational symmetry in the iron plane. This phase may arise from orbital ordering, spin fluctuations, or hidden magnetic quadrupolar order. Here we use inelastic neutron scattering on a mosaic of single crystals of FeSe detwinned by mounting on a BaFe2As2 substrate to demonstrate that spin excitations are most intense at the antiferromagnetic wave vectors QAF = (1, 0) at low energies E = 6-11 meV in the normal state. This two-fold (C2) anisotropy is reduced at lower energies 3-5 meV, indicating a gapped four-fold (C4) mode. In the superconducting state, however, the strong nematic anisotropy is again reflected in the spin resonance (E = 3.7 meV) at QAF with incommensurate scattering around 5-6 meV. Our results highlight the extreme electronic anisotropy of the nematic phase of FeSe and are consistent with a highly anisotropic superconducting gap driven by spin fluctuations., Comment: accepted for Nature Materials

Identifying the symmetry of the wave function describing the Cooper pairs is pivotal in understanding the origin of high-temperature superconductivity in iron-based superconductors. Despite nearly a decade of intense investigation, the answer to this question remains elusive. Here we use the muon spin rotation/relaxation (muSR) technique to investigate the underlying symmetry of the pairing state of the FeSe superconductor, the basic building block of all iron-chalcogenide superconductors. Contrary to earlier muSR studies on powders and crystals, we show that while the superconducting gap is most probably anisotropic but nodeless along the crystallographic c-axis, it is nodal in the ab-plane, as indicated by the linear increase of the superfluid density at low temperature. We further show that the superconducting properties of FeSe display a less pronounced anisotropy than expected., 13 Pages, 8 figures (Accepted in PRB Rapid)

We have investigated the antiferromagnetic phase transition in the frustrated and multiferroic hexagonal manganites $h$-(Y$_{0.98}$ Eu$_{0.02}$)MnO$_3$ (YEMO) and $h$-YMnO$_3$ (YMO). Elastic neutron scattering has been used to study in detail the phase transition in YMO and YEMO in zero pressure and in YMO at a hydrostatic pressure of 1.5~GPa. In zero pressure, we find the critical temperature $T_{\rm N} = 72.11(5)$~K and 71.3(1)~K and the critical exponent $\beta = 0.206(3)$ and 0.22(2), for YEMO and YMO, respectively. This is in agreement with earlier work by Roessli {\em et al.}. In applied hydrostatic pressure of 1.5~GPa, the ordering temperature increases to $T_{\rm N} = 75.2(5)$~K, in agreement with earlier reports, while $\beta$ is unchanged. Inelastic neutron scattering was used to determine the anisotropy spin wave gap at the phase transition, expected from spin wave theory to close with a critical exponent $\beta'$ identical to the one of the order parameter, $\beta' = \beta$. Our results indicate that the gap in YEMO indeed closes at $T_{\rm N}=72.4(3)$~K with $\beta' = 0.24(2)$, while the in-pressure gap in YMO closes at 75.2(5)~K with an exponent of $\beta' =0.19(3)$. In addition, the low-temperature anisotropy gap was found to have a slightly higher absolute value under pressure. The consistent values obtained for $\beta$ in the two systems support the likelihood of a new universality class for triangular, frustrated antiferromagnets.

Strong electronic correlations, emerging from the parent Mott insulator phase, are key to copper-based high temperature superconductivity (HTS). By contrast, the parent phase of iron-based HTS is never a correlated insulator. But this distinction may be deceptive because Fe has five active d-orbitals while Cu has only one. In theory, such orbital multiplicity can generate a Hund's Metal state, in which alignment of the Fe spins suppresses inter-orbital fluctuations producing orbitally selective strong correlations. The spectral weights $Z_m$ of quasiparticles associated with different Fe orbitals m should then be radically different. Here we use quasiparticle scattering interference resolved by orbital content to explore these predictions in FeSe. Signatures of strong, orbitally selective differences of quasiparticle $Z_m$ appear on all detectable bands over a wide energy range. Further, the quasiparticle interference amplitudes reveal that $Z_{xy}, Comment: for movie M1, see http://www.physik.uni-leipzig.de/~kreisel/osqp/M1.mp4, for movie M2, see http://www.physik.uni-leipzig.de/~kreisel/osqp/M2.mp4, for movie M3, see http://www.physik.uni-leipzig.de/~kreisel/osqp/M3.mp4, for movie M4, see http://www.physik.uni-leipzig.de/~kreisel/osqp/M4.mp4, for movie M5, see http://www.physik.uni-leipzig.de/~kreisel/osqp/M5.mp4

Recent STM experiments and theoretical considerations have highlighted the role of interaction-driven orbital selectivity in FeSe, and its role in generating the extremely anisotropic superconducting gap structure in this material. We study the magnetic excitation spectrum resulting from the coherent quasiparticles within the same renormalized random phase approximation approach used to explain the STM experiments, and show that it agrees well with the low-energy momentum and energy dependent response measured by inelastic neutron scattering experiments. We find a correlation-induced suppression of $(\pi,\pi)$ scattering due to a small quasiparticle weight of states of $d_{xy}$ character. We compare predictions for twinned and untwinned crystals, and predict in particular a strongly $(\pi,0)$-dominated response at low energies in untwinned systems, in contrast to previous itinerant theories., Comment: 14 pages, 11 figures, published version, tight binding model can be found at http://www.physik.uni-leipzig.de/~kreisel/tb_models/5band/FeSe_BQPI/model.php

Experimental evidence suggests that FeSe is close to a magnetic instability, and recent scanning tunneling microscopy (STM) measurements on FeSe multilayer films have revealed stripe order locally pinned near defect sites. Motivated by these findings, we perform a theoretical study of locally induced magnetic order near nonmagnetic impurities in a model relevant for FeSe. We find that relatively weak repulsive impurities indeed are capable of generating short-range magnetism, and explain the driving mechanism for the local order by resonant eg-orbital states. In addition, we investigate the importance of orbital-selective self-energy effects relevant for Hund's metals, and show how the structure of the induced magnetization cloud gets modified by orbital selectivity. Finally, we make concrete connection to STM measurements of iron-based superconductors by symmetry arguments of the induced magnetic order, and the basic properties of the Fe Wannier functions relevant for tunneling spectroscopy., Comment: 10 pages, 4 figures

We consider the problem of local tunneling into cuprate superconductors, combining model-based calculations for the superconducting order parameter with wave function information obtained from first-principles electronic structure. For some time it has been proposed that scanning tunneling microscopy (STM) spectra do not reflect the properties of the superconducting layer in the ${\mathrm{CuO}}_{2}$ plane directly beneath the STM tip, but rather a weighted sum of spatially proximate states determined by the details of the tunneling process. These ``filter'' ideas have been countered with the argument that similar conductance patterns have been seen around impurities and charge ordered states in systems with atomically quite different barrier layers. Here we use a recently developed Wannier function-based method to calculate topographies, spectra, conductance maps, and normalized conductance maps close to impurities. We find that it is the local planar Cu ${d}_{{x}^{2}\ensuremath{-}{y}^{2}}$ Wannier function, qualitatively similar for many systems, that controls the form of the tunneling spectrum and the spatial patterns near perturbations. We explain how, despite the fact that STM observables depend on the materials-specific details of the tunneling process and setup parameters, there is an overall universality in the qualitative features of conductance spectra. In particular, we discuss why STM results on ${\mathrm{Bi}}_{2}{\mathrm{Sr}}_{2}{\mathrm{CaCu}}_{2}{\mathrm{O}}_{8}$ (BSCCO) and ${\mathrm{Ca}}_{2\ensuremath{-}x}{\mathrm{Na}}_{x}{\mathrm{CuO}}_{2}{\mathrm{Cl}}_{2}$ (NaCCOC) are essentially identical.

Iron-based superconductors are well known for their complex interplay between structure, magnetism and superconductivity. FeSe offers a particularly fascinating example. This material has been intensely discussed because of its extended nematic phase, whose relationship with magnetism is not obvious. Superconductivity in FeSe is highly tunable, with the superconducting transition temperature, $T_\mathrm{c}$, ranging from 8 K in bulk single crystals at ambient pressure to almost 40 K under pressure or in intercalated systems, and to even higher temperatures in thin films. In this topical review, we present an overview of nematicity, magnetism and superconductivity, and discuss the interplay of these phases in FeSe. We focus on bulk FeSe and the effects of physical pressure and chemical substitutions as tuning parameters. The experimental results are discussed in the context of the well-studied iron-pnictide superconductors and interpretations from theoretical approaches are presented., Topical Review submitted to Journal of Physics: Condensed Matter

Recently, a test for a sign-changing gap function in a candidate multiband unconventional superconductor involving quasiparticle interference data was proposed. The test was based on the antisymmetric, Fourier transformed conductance maps integrated over a range of momenta $\bf q$ corresponding to interband processes, which was argued to display a particular resonant form, provided the gaps changed sign between the Fermi surface sheets connected by $\bf q$. The calculation was performed for a single impurity, however, raising the question of how robust this measure is as a test of sign-changing pairing in a realistic system with many impurities. Here we reproduce the results of the previous work within a model with two distinct Fermi surface sheets, and show explicitly that the previous result, while exact for a single nonmagnetic scatterer and also in the limit of a dense set of random impurities, can be difficult to implement for a few dilute impurities. In this case, however, appropriate isolation of a single impurity is sufficient to recover the expected result, allowing a robust statement about the gap signs to be made., 9 pages, 12 figures

Inelastic neutron scattering has been used to study the magneto-elastic excitations in the multiferroic manganite hexagonal YMnO$_3$. An avoided crossing is found between magnon and phonon modes close to the Brillouin zone boundary in the $(a,b)$-plane. Neutron polarization analysis reveals that this mode has mixed magnon-phonon character. An external magnetic field along the $c$-axis is observed to cause a linear field-induced splitting of one of the spin wave branches. A theoretical description is performed, using a Heisenberg model of localized spins, acoustic phonon modes and a magneto-elastic coupling via the single-ion magnetostriction. The model quantitatively reproduces the dispersion and intensities of all modes in the full Brillouin zone, describes the observed magnon-phonon hybridized modes, and quantifies the magneto-elastic coupling. The combined information, including the field-induced magnon splitting, allows us to exclude several of the earlier proposed models and point to the correct magnetic ground state symmetry, and provides an effective dynamic model relevant for the multiferroic hexagonal manganites., Comment: 12 pages, 10 figures

We discuss the influence on spin-fluctuation pairing theory of orbital selective strong correlation effects in Fe-based superconductors, particularly Fe chalcogenide systems. We propose that a key ingredient for an improved itinerant pairing theory is orbital selectivity, i.e., incorporating the reduced coherence of quasiparticles occupying specific orbital states. This modifies the usual spin-fluctuation via suppression of pair scattering processes involving those less coherent states and results in orbital selective Cooper pairing of electrons in the remaining states. We show that this paradigm yields remarkably good agreement with the experimentally observed anisotropic gap structures in both bulk and monolayer FeSe, as well as LiFeAs, indicating that orbital selective Cooper pairing plays a key role in the more strongly correlated iron-based superconductors., 13 pages, 10 figures, published version

In conventional s-wave superconductors, only magnetic impurities exhibit impurity bound states, whereas for an s+- order parameter they can occur for both magnetic and non-magnetic impurities. Impurity bound states in superconductors can thus provide important insight into the order parameter. Here, we present a combined experimental and theoretical study of native and engineered iron-site defects in LiFeAs. Detailed comparison of tunneling spectra measured on impurities with spin fluctuation theory reveals a continuous evolution from negligible impurity bound state features for weaker scattering potential to clearly detectable states for somewhat stronger scattering potentials. All bound states for these intermediate strength potentials are pinned at or close to the gap edge of the smaller gap, a phenomenon that we explain and ascribe to multi-orbital physics., Comment: 5 pages, 4 figures

We use the Gross-Pitaevskii equation to determine the spatial structure of the condensate density of interacting bosons whose energy dispersion epsilon_k has two degenerate minima at finite wave-vectors q. We show that in general the Fourier transform of the condensate density has finite amplitudes for all integer multiples of q. If the interaction is such that many Fourier components contribute, the Bose condensate is localized at the sites of a one-dimensional lattice with spacing 2pi/q; in this case Bose-Einstein condensation resembles the transition from a liquid to a crystalline solid. We use our results to investigate the spatial structure of the Bose condensate formed by magnons in thin films of ferromagnets with dipole-dipole interactions., 9 pages, 4 figures, final version publicated in EPJD

We investigated the antiferromagnetic phase transition in the frustrated and multiferroic hexagonal manganites h-YMnO 3 (YMO) and h-(Y 0.98 Eu 0.02 )MnO 3 (YEMO). Elastic neutron scattering was used to study, in detail, the phase transition in YMO and YEMO under zero pressure and in YMO under a hydrostatic pressure of 1.5 GPa. Under conditions of zero pressure, we found critical temperatures of T N = 71.3 ( 1 ) K and 72.11 ( 5 ) K and the critical exponent 0.22 ( 2 ) and β = 0.206 ( 3 ) , for YMO and YEMO, respectively. This is in agreement with earlier work by Roessli et al. Under an applied hydrostatic pressure of 1.5 GPa, the ordering temperature increased to T N = 75.2 ( 5 ) K, in agreement with earlier reports, while β was unchanged. Inelastic neutron scattering was used to determine the size of the anisotropy spin wave gap close to the phase transition. From spin wave theory, the gap is expected to close with a critical exponent, β ′ , identical to the order parameter β . Our results indicate that the gap in YEMO indeed closes at T N = 72.4 ( 3 ) K with β ′ = 0.24 ( 2 ) , while the in-pressure gap in YMO closes at 75.2(5) K with an exponent of β ′ = 0.19 ( 3 ) . In addition, the low temperature anisotropy gap was found to have a slightly higher absolute value under pressure. The consistent values obtained for β in the two systems support the likelihood of a new universality class for triangular, frustrated antiferromagnets.

The superconductor FeSe is of intense interest thanks to its unusual non-magnetic nematic state and potential for high temperature superconductivity. But its Cooper pairing mechanism has not been determined. Here we use Bogoliubov quasiparticle interference imaging to determine the Fermi surface geometry of the bands surrounding the $\Gamma = (0,0)$ and $X=(\pi / a_{Fe}, 0)$ points of FeSe, and to measure the corresponding superconducting energy gaps. We show that both gaps are extremely anisotropic but nodeless, and exhibit gap maxima oriented orthogonally in momentum space. Moreover, by implementing a novel technique we demonstrate that these gaps have opposite sign with respect to each other. This complex gap configuration reveals the existence of orbital-selective Cooper pairing which, in FeSe, is based preferentially on electrons from the $d_{yz}$ orbitals of the iron atoms., Comment: for movie S1, see http://www.physik.uni-leipzig.de/~kreisel/oscp/S1.mp4, for movie S2, see http://www.physik.uni-leipzig.de/~kreisel/oscp/S2.mp4 and for movie S3, see http://www.physik.uni-leipzig.de/~kreisel/oscp/S3.mp4

We study the spin-fluctuation-mediated superconducting pairing gap in a weak-coupling approach to the Hubbard model for a two dimensional square lattice in the paramagnetic state. Performing a comprehensive theoretical study of the phase diagram as a function of filling, we find that the superconducting gap exhibits transitions from p-wave at very low electron fillings to d_{x^2-y^2}-wave symmetry close to half filling in agreement with previous reports. At intermediate filling levels, different gap symmetries appear as a consequence of the changes in the Fermi surface topology and the associated structure of the spin susceptibility. In particular, the vicinity of a van Hove singularity in the electronic structure close to the Fermi level has important consequences for the gap structure in favoring the otherwise sub-dominant triplet solution over the singlet d-wave solution. By solving the full gap equation, we find that the energetically favorable triplet solutions are chiral and break time reversal symmetry. Finally, we also calculate the detailed angular gap structure of the quasi-particle spectrum, and show how spin-fluctuation-mediated pairing leads to significant deviations from the first harmonics both in the singlet d_{x^2-y^2} gap as well as the chiral triplet gap solution., 11 pages 11 figures

We provide a band structure with low-energy properties consistent with recent photoemission and quantum oscillations measurements on FeSe, assuming mean-field like s and/or d-wave orbital ordering at the structural transition. We show how the resulting model provides a consistent explanation of the temperature dependence of the measured Knight shift and the spin-relaxation rate. Furthermore, the superconducting gap structure obtained from spin fluctuation theory exhibits nodes on the electron pockets, consistent with the 'V'-shaped density of states obtained by tunneling spectroscopy on this material, and the temperature dependence of the London penetration depth. Our studies prove that the recent experimental observations of the electronic properties of FeSe are consistent with orbital order, but leave open the microscopic origin of the unusual band structure of this material., 12 pages, 15 figures, T.B hopping error corrected, d-wave orbital order added, real space hoppings included in tex file

We present a theoretical study of the dynamical spin susceptibility for the intriguing Fe-based superconductor FeSe, based on a tight-binding model developed to account for the temperature-dependent band structure in this system. The model allows for orbital ordering in the $d_{xz}/d_{yz}$ channel below the structural transition and presents a strongly $C_4$ symmetry broken Fermi surface at low temperatures which accounts for the nematic properties of this material. The calculated spin excitations are peaked at wave vector $(\pi,0)$ in the 1-Fe Brillouin zone, with a broad maximum at energies of order a few meV. In this range, the occurrence of superconductivity sharpens this peak in energy, creating a $(\pi,0)$ "neutron resonance" as seen in recent experiments. With the exception of the quite low energy scale of these fluctuations, these results are roughly similar to standard behavior in Fe pnictide systems. At higher energies, however, intensity increases and shifts to wave vectors along the $(\pi,0)$ - $(\pi,\pi)$ line. We compare with existing inelastic neutron experiments and NMR data, and give predictions for further studies., Comment: 12 pages, 13 figures, published version, real-space hoppings for T=40 K included in source file

In superconductors with unconventional pairing mechanisms, the energy gap in the excitation spectrum often has nodes, which allow quasiparticle excitations at low energies. In many cases, e.g. $d$-wave cuprate superconductors, the position and topology of nodes are imposed by the symmetry, and thus the presence of gapless excitations is protected against disorder. Here we report on the observation of distinct changes in the gap structure of iron-pnictide superconductors with increasing impurity scattering. By the successive introduction of nonmagnetic point defects into BaFe$_2$(As$_{1-x}$P$_x$)$_2$ crystals via electron irradiation, we find from the low-temperature penetration depth measurements that the nodal state changes to a nodeless state with fully gapped excitations. Moreover, under further irradiation the gapped state evolves into another gapless state, providing bulk evidence of unconventional sign-changing $s$-wave superconductivity. This demonstrates that the topology of the superconducting gap can be controlled by disorder, which is a strikingly unique feature of iron pnictides., Comment: 5 pages, 4 figures

For temperatures below 0.6 K the geometrically frustrated layered quantum antiferromagnet ${\mathrm{Cs}}_{2}{\mathrm{CuCl}}_{4}$ in a magnetic field perpendicular to the layers orders magnetically in a so-called cone state where the magnetic moments have a finite component in the field direction, whereas their projection onto the layers forms a spiral. Modeling this system by a two-dimensional spatially anisotropic quantum Heisenberg antiferromagnet with Dzyaloshinskii-Moriya interaction, we find that even for vanishing temperatures the usual spin-wave expansion is plagued by infrared divergencies which are due to the coupling between longitudinal and transverse spin fluctuations in the cone state. Similar divergencies appear also in the ground state of the interacting Bose gas in two and three dimensions. Using known results for the correlation functions of the interacting Bose gas, we present a nonperturbative expression for the dynamic structure factor in the cone state of ${\mathrm{Cs}}_{2}{\mathrm{CuCl}}_{4}$. We show that in this state the spectral line shape of spin fluctuations exhibits singular scattering continua which can be understood in terms of the well-known anomalous longitudinal fluctuations in the ground state of the two-dimensional Bose gas.

We apply a recently developed method combining first principles based Wannier functions with solutions to the Bogoliubov-de Gennes equations to the problem of interpreting STM data in cuprate superconductors. We show that the observed images of Zn on the surface of Bi$_2$Sr$_2$CaCu$_2$O$_8$ can only be understood by accounting for the tails of the Cu Wannier functions, which include significant weight on apical O sites in neighboring unit cells. This calculation thus puts earlier crude "filter" theories on a microscopic foundation and solves a long standing puzzle. We then study quasiparticle interference phenomena induced by out-of-plane weak potential scatterers, and show how patterns long observed in cuprates can be understood in terms of the interference of Wannier functions above the surface. Our results show excellent agreement with experiment and enable a better understanding of novel phenomena in the cuprates via STM imaging., 5 pages, 5 figures, published version (Supplemental Material: 5 pages, 11 figures) for associated video file, see http://itp.uni-frankfurt.de/~kreisel/QPI_BSCCO_BdG_p_W.mp4

Here we propose a simple method of calculating inhomogeneous, atomic-scale phenomena in superconductors which makes use of the wave function information traditionally discarded in the construction of tight-binding models used in the Bogoliubov-de Gennes equations. The method uses symmetry- based first principles Wannier functions to visualize the effects of superconducting pairing on the distribution of electronic states over atoms within a crystal unit cell. Local symmetries lower than the global lattice symmetry can thus be exhibited as well, rendering theoretical comparisons with scanning tunneling spectroscopy data much more useful. As a simple example, we discuss the geometric dimer states observed near defects in superconducting FeSe.

The lack of nesting of the electron and hole Fermi-surface sheets in the Fe-based superconductor LiFeAs, with a critical temperature of 18 K, has led to questions as to whether the origin of superconductivity in this material might be different from other Fe-based superconductors. Both angle-resolved photoemission and quasiparticle interference experiments have reported fully gapped superconducting order parameters with significant anisotropy. The system is also of interest because relatively strong correlations seem to be responsible for significant renormalization of the hole bands. Here we present calculations of the superconducting gap and pairing in the random-phase approximation using Fermi surfaces derived from measured photoemission spectra. The qualitative features of the gaps obtained in these calculations are shown to be different from previous two-dimensional theoretical works, and in good agreement with experiment on the main Fermi surface pockets. We analyze the contributions to the pairing vertex thus obtained and show that the scattering processes between electron and hole pockets that are believed to dominate the pairing in other Fe-based superconductors continue to do so in LiFeAs despite the lack of nesting, leading to gaps with anisotropic $s_\pm$ structure. Some interesting differences relating to the enhanced $d_{xy}$ orbital content of the LiFeAs Fermi surface are noted., 13 pages, 7 figures

Superconductivity in alkali-intercalated iron selenide, with T_c's of 30K and above, may have a different origin than that of the other Fe-based superconductors, since it appears that the Fermi surface does not have any holelike sheets centered around the Gamma point. Here we investigate the symmetry of the superconducting gap in the framework of spin-fluctuation pairing calculations using density functional theory bands downfolded onto a three-dimensional (3D), ten-orbital tight-binding model, treating the interactions in the random-phase approximation (RPA). We find a leading instability towards a state with d-wave symmetry, but show that the details of the gap function depend sensitively on electronic structure. As required by crystal symmetry, quasi-nodes on electron pockets always occur, but are shown to be either horizontal, looplike or vertical depending on details. A variety of other 3D gap structures, including bonding-antibonding s-symmetry states which change sign between inner and outer electron pockets are found to be subdominant. We then investigate the possibility that spin-orbit coupling effects on the one-electron band structure, which lead to enhanced splitting of the two M-centered electron pockets in the 2-Fe zone, may stabilize the bonding-antibonding s_+/- wave states. Finally, we discuss our results in the context of current phenomenological theories and experiments.

We reconsider the effect of disorder on the properties of a superconductor characterized by a sign-changing order parameter appropriate for Fe-based materials. Within a simple two band model, we calculate simultaneously $T_c$, the change in residual resistivity $\Delta \rho_0$, and the zero-energy density of states, and show how these results change for various types of gap structures and assumptions regarding the impurity scattering. The rate of $T_c$ suppression is shown to vary dramatically according to details of the impurity model considered. We search therefore for a practical, experimentally oriented signature of a gap of the $s_\pm$ type, and propose that observation of particular evolution of the penetration depth, nuclear magnetic resonance relaxation rate, or thermal conductivity temperature dependence with disorder would suffice.

We generalize the spin-wave expansion in powers of the inverse spin to time-dependent quantum spin models describing rotating magnets or magnets in time-dependent external fields. We show that in these cases, the spin operators should be projected onto properly defined rotating reference frames before the spin components are bosonized using the Holstein-Primakoff transformation. As a first application of our approach, we calculate the reorganization of the magnetic state due to Bose-Einstein condensation of magnons in the magnetic insulator yttrium-iron garnet; we predict a characteristic dip in the magnetization which should be measurable in experiments., Comment: 6 pages, 5 figures, final version published in PRB

We study a one-dimensional spin-chain interacting with long-range dipolar forces in the presence of a transverse magnetic field. The system exhibits a quantum critical point belonging to the two-dimensional Ising universality class, whose critical behavior is investigated using the nonperturbative density-matrix and functional renormalization group methods. Interestingly, we find that linear spin-wave theory predicts a magnon dispersion characterized by a logarithmic singularity in the magnon velocity for vanishing momenta, due to the peculiar behavior of dipole-dipole interactions in one dimension. However, in the vicinity of the critical point this logarithmically divergent term is renormalized to zero by the effects of quantum fluctuations, signaling the reemergence of scale invariance, in accordance with the Ising critical scenario.

The spectral distribution of parametrically excited dipole-exchange magnons in an in-plane magnetized epitaxial film of yttrium-iron garnet was studied by means of frequency- and wavevector-resolved Brillouin light scattering spectroscopy. The experiment was performed in a parallel pumping geometry, where an exciting microwave magnetic field was parallel to the magnetizing field. It was found that for both dipolar and exchange spectral areas parallel pumping excites the lowest volume magnon modes propagating in the film plane perpendicularly to the magnetization direction. No excitation of the high-order volume modes has been registered. In order to interpret the experimental observations, we used a microscopic Heisenberg model that includes exchange as well as dipole-dipole interactions to calculate the magnon spectrum and construct the eigenstates. As proven in our calculations, the observed magnons are characterized by having the highest possible ellipticity of precession, which suggests the lowest threshold of parametric generation. Applying different pumping powers we observe modifications in the magnon spectrum that are described theoretically by a softening of the spin stiffness.

Using Popov's hydrodynamic approach we derive an effective Euclidean action for the long-wavelength phase fluctuations of superfluid Bose gases in D dimensions. We then use this action to calculate the damping of phase fluctuations at zero temperature as a function of D. For D >1 and wavevectors | k | << 2 mc (where m is the mass of the bosons and c is the sound velocity) we find that the damping in units of the phonon energy E_k = c | k | is to leading order gamma_k / E_k = A_D (k_0^D / 2 pi rho) (| k | / k_0)^{2 D -2}, where rho is the boson density and k_0 =2 mc is the inverse healing length. For D -> 1 the numerical coefficient A_D vanishes and the damping is proportional to an additional power of |k | /k_0; a self-consistent calculation yields in this case gamma_k / E_k = 1.32 (k_0 / 2 pi rho)^{1/2} |k | / k_0. In one dimension, we also calculate the entire spectral function of phase fluctuations., 6 pages, 4 figures, published version

We show that a chain of Heisenberg spins interacting with long-range dipolar forces in a magnetic field h perpendicular to the chain exhibits a quantum critical point belonging to the two-dimensional Ising universality class. Within linear spin-wave theory the magnon dispersion for small momenta k is [Delta^2 + v_k^2 k^2]^{1/2}, where Delta^2 \propto |h - h_c| and v_k^2 \propto |ln k|. For fields close to h_c linear spin-wave theory breaks down and we investigate the system using density-matrix and functional renormalization group methods. The Ginzburg regime where non-Gaussian fluctuations are important is found to be rather narrow on the ordered side of the transition, and very broad on the disordered side., 6 pages, 5 figures

In an external magnetic field perpendicular to the plane of the layers, the quasi-two-dimensional frustrated antiferromagnet Cs${}_{2}$CuCl${}_{4}$ exhibits a magnetically ordered ``cone state'' at low temperatures. In this state the component of the magnetic moments in field direction is finite, while their projection onto the plane of the layers forms a spiral. We present both theoretical and experimental results for the magnetic field dependence of the elastic constants and the ultrasonic attenuation rate in the cone state. Our theoretical analysis is based on the usual spin-wave expansion around the classical ground state of a Heisenberg model on an anisotropic triangular lattice with Dzyaloshinskii--Moriya interactions. Magnon-phonon interactions are modeled by expanding the exchange interactions up to second order in powers of the phonon coordinates. As long as the external magnetic field is not too close to the critical field where the cone state becomes unstable, we obtain reasonable agreement between theory and experiment, suggesting that at least in this regime magnons behave as well-defined quasiparticles. We also show that the assumption of well-defined magnons implies that at long wavelengths the ultrasonic attenuation rate in the cone state of Cs${}_{2}$CuCl${}_{4}$ is proportional to the fourth power of the phonon momentum.

Brillouin light scattering spectroscopy is a powerful technique for the study of fast magnetization dynamics with both frequency- and wavevector resolution. Here, we report on a distinct improvement of this spectroscopic technique towards two-dimensional wide-range wavevector selectivity in a backward scattering geometry. Spin-wave wavevectors oriented perpendicular to the bias magnetic field are investigated by tilting the sample within the magnet gap. Wavevectors which are oriented parallel to the applied magnetic field are analyzed by turning the entire setup, including the magnet system. The setup features a wide selectivity of wavevectors up to 2.04\cdot 10E5 rad/cm for both orientations, and allows selecting and measuring wavevectors of dipole- and exchange-dominated spin waves of any orientation to the magnetization simultaneously.

Motivated by recent experiments on thin films of the ferromagnetic insulator yttrium-iron garnet (YIG), we have developed an efficient microscopic approach to calculate the spin-wave spectra of these systems. We model the experimentally relevant magnon band of YIG using an effective quantum Heisenberg model on a cubic lattice with ferromagnetic nearest neighbor exchange and long-range dipole-dipole interactions. After a bosonization of the spin degrees of freedom via a Holstein-Primakoff transformation and a truncation at quadratic order in the bosons, we obtain the spin-wave spectra for experimentally relevant parameters without further approximation by numerical diagonalization, using efficient Ewald summation techniques to carry out the dipolar sums. We compare our numerical results with two different analytic approximations and with predictions based on the phenomenological Landau-Lifshitz equation., 10 pages, 8 figures, final version (minor corrections, references updated)