arXiv subjects

Andreas Kreisel

Publications and source records attributed to Andreas Kreisel.

At least 55 records · Page 3Linked to original sources

arXiv2022

Topological superconductivity driven by correlations and linear defects in multiband superconductors

There have been several proposals for platforms sustaining topological superconductivity in high temperature superconductors, in order to make use of the larger superconducting gap and the expected robustness of Majorana zero modes towards perturbations. In particular, the iron-based materials offer relatively large $T_c$ and nodeless energy gaps. In addition, atomically flat surfaces enable the engineering of defect structures and the subsequent measurement of spectroscopic properties to reveal topological aspects. From a theory perspective, a materials-specific description is challenging due to the correlated nature of the materials and complications arising from the multiband nature of the electronic structure. Here we include both aspects in realistic interacting models, and find that the correlations themselves can lead to local magnetic order close to linear potential scattering defects at the surface of the superconductor. Using a self-consistent Bogoliubov-de Gennes framework in a real-space setup using a prototype electronic structure, we allow for arbitrary magnetic orders and show how a topological superconducting state emerges. The calculation of the topological invariant and the topological gap allows us to map out the phase diagram for the case of a linear chain of potential scatterers. While intrinsic spin-orbit coupling is not needed to enter the topological state in presence of spin-spiral states, it enlarges the topological phase. We discuss the interplay of a triplet component of the superconducting order parameter and the spin spiral leading effectively to extended spin orbit coupling terms, and connect our results to experimental efforts on the Fe(Se,Te) system.

cond-mat.supr-con↗

arXiv2022

Anisotropic gap structure and sign reversal symmetry in monolayer Fe(Se,Te)

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.

cond-mat.supr-con↗

arXiv2022

Simulating Superconducting Properties of Overdoped Cuprates: the Role of Inhomogeneity

Theoretical studies of disordered $d$-wave superconductors have focused, with a few exceptions, on optimally doped models with strong scatterers. Addressing recent controversies about the nature of the overdoped cuprates, however, requires studies of the weaker scattering associated with dopant atoms. Here we study simple models of such systems in the self-consistent Bogoliubov-de Gennes (BdG) framework, and compare to disorder-averaged results using the self-consistent-T-matrix-approximation (SCTMA). Despite surprisingly linear in energy behavior of the low-energy density of states even for quite disordered systems, the superfluid density in such cases retains a quadratic low-temperature variation of the penetration depth, unlike other BdG results reported recently. We trace the discrepancy to smaller effective system size employed in that work. Overall, the SCTMA performs remarkably well, with the exception of highly disordered systems with strongly suppressed superfluid density. We explore this interesting region where gap inhomogeneity dominates measured superconducting properties, and compare with overdoped cuprates.

cond-mat.supr-con↗

arXiv2022

Hybrid s-wave superconductivity in CrB$_2$

In a metal with multiple Fermi pockets, the formation of s-wave superconductivity can be conventional due to electron-phonon coupling or unconventional due to spin fluctuations. We analyze the hexagonal diboride CrB$_2$, which is an itinerant antiferromagnet at ambient conditions and turns superconducting upon increasing pressure. While the high pressure behavior of T$_c$ suggests conventional s-wave pairing, we find that spin fluctuations promoting unconventional s-wave pairing become important in the vicinity of the antiferromagnetic dome. As the symmetry class of the s-wave state is independent of its underlying mechanism, we argue that CrB$_2$ is a realization of a hybrid s-wave superconductor where unconventional and conventional s-wave mechanisms team up to form a joint superconducting dome.

cond-mat.supr-con↗

arXiv2022

Superconductivity in multiorbital systems with repulsive interactions: Hund's pairing vs. spin-fluctuation pairing

Hund's pairing refers to Cooper pairing generated by onsite interactions that become attractive due to large Hund's exchange $J$. This is possible in multiorbital systems even when all local bare interactions are repulsive, since attraction in specific channels are given by certain linear combinations of interaction parameters. On the other hand, pairing processes such as the exchange of spin fluctuations, are also present. We compare these two mechanisms on an equal footing using electronic bands appropriate for different classes of multiorbital systems over a wide range of interaction parameters. We find that for systems without clear nesting features, the superconducting state generated by the Hund's mechanism agrees well with that from the full fluctuation exchange vertex when Hund's exchange and spin-orbit coupling are sufficiently large. On the other hand, for systems characterized by a peaked finite-momentum particle-hole susceptibility, spin-fluctuation pairing generally dominates over Hund's pairing. We conclude that Hund's pairing states are unlikely to be realized in systems like Sr$_2$RuO$_4$ and generic iron-based superconductors.

cond-mat.supr-con↗

arXiv2022

Superconducting Instabilities in Strongly-Correlated Infinite-Layer Nickelates

The discovery of superconductivity in infinite-layer nickelates has added a new family of materials to the fascinating growing class of unconventional superconductors. By incorporating the strongly correlated multi-orbital nature of the low-energy electronic degrees of freedom, we compute the leading superconducting instability from magnetic fluctuations relevant for infinite-layer nickelates. Specifically, by properly including the doping dependence of the Ni $d_{x^2-y^2}$ and $d_{z^2}$ orbitals as well as the self-doping band, we uncover a transition from $d$-wave pairing symmetry to nodal $s_\pm$ superconductivity, driven by strong fluctuations in the $d_{z^2}$-dominated orbital states. We discuss the properties of the resulting superconducting condensates in light of recent tunneling and penetration depth experiments probing the detailed superconducting gap structure of these materials.

cond-mat.supr-con↗

arXiv2022

Theory of spin-excitation anisotropy in the nematic phase of FeSe obtained from RIXS measurements

Recent resonant inelastic x-ray scattering (RIXS) experiments have detected a significant high-energy spin-excitation anisotropy in the nematic phase of the enigmatic iron-based superconductor FeSe, whose origin remains controversial. We apply an itinerant model previously used to describe the spin-excitation anisotropy as measured by neutron scattering measurements, with magnetic fluctuations included within the RPA approximation. The calculated RIXS cross section exhibits overall agreement with the RIXS data, including the high energy spin-excitation anisotropy.

cond-mat.str-el↗

arXiv2022

Leading superconducting instabilities in three-dimensional models for Sr2RuO4

The superconductor Sr2RuO4 has been the subject of enormous interest over more than two decades, but until now the form of its order parameter has not been determined. Since groundbreaking NMR experiments revealed that the pairs are of dominant spin-singlet character, attention has focused on time-reversal symmetry breaking linear combinations of $s$-, $d$- and $g$-wave one-dimensional (1D) irreducible representations. However, a state of the form $d_{xz}+id_{yz}$ has also been proposed. We present a systematic study of the stability of various superconducting candidate states, assuming that pairing is driven by the fluctuation exchange mechanism, including a realistic three-dimensional Fermi surface, full treatment of both local and non-local spin-orbit couplings, and a wide range of interaction parameters $U,J,U',J'$. The leading superconducting instabilities are found to exhibit nodal even-parity $A_{1g} (s')$ or $B_{1g} (d_{x^2-y^2})$ symmetries, similar to the findings in two-dimensional models without longer-range Coulomb interaction which tends to favor $d_{xy}$ over $d_{x^2-y^2}$. Within the so-called Hund's coupling mean-field pairing scenario, the $E_g (d_{xz}/d_{yz})$ solution can be stabilized for large $J$ and specific forms of the spin-orbit coupling, but for all cases studied here the eigenvalues of other superconducting solutions are significantly larger when the full fluctuation exchange vertex is included in the pairing kernel. Additionally, we compute the spin susceptibility in relevant superconducting candidate phases and compare to recent neutron scattering and NMR Knight shift measurements.

cond-mat.supr-con↗

arXiv2022

Spin triplet superconductivity driven by finite momentum spin fluctuations

A small number of superconductors are believed to exhibit intrinsic spin triplet pairing, and they are often discussed in terms of a simple, $^3$He-like picture where ferromagnetic spin fluctuations provide the "glue". However, in some cases in which reliable inelastic neutron scattering measurements are available, spin excitations are found to be peaked at finite momentum $\bf q$ rather than ${\bf q}=0$. Here we investigate some simple models that exhibit triplet pairing arising from antiferromagnetic spin fluctuations. We show that a strong peak at larger ${\bf q}$ in the magnetic susceptibility can drive such states and can give rise to pairing states with nodes in the $k_z$ plane even in the presence of a pure 2D Fermi surface. In these situations, dominant pair scattering processes occur between Fermi surface segments with like signs of the superconducting order parameter, yet they are consistent with an overall odd parity state. We examine the applicability of these scenarios to putative triplet superconductors UTe$_2$ by calculations based on three dimensional Fermi surfaces.

cond-mat.supr-con↗

arXiv2021

Orbital-Selective High-Temperature Cooper Pairing Developed in the Two-Dimensional Limit

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.

cond-mat.supr-con↗

arXiv2021

Magnetic anisotropy from linear defect structures in correlated electron systems

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.

cond-mat.str-el↗

arXiv2021

Tunable topological states hosted by unconventional superconductors with adatoms

Chains of magnetic atoms, placed on the surface of s-wave superconductors, have been established as a laboratory for the study of Majorana bound states. In such systems, the breaking of time reversal due to magnetic moments gives rise to the formation of in-gap states, which hybridize to form one-dimensional topological superconductors. However, in unconventional superconductors even non-magnetic impurities induce in-gap states since scattering of Cooper pairs changes their momentum but not their phase. Here, we propose a path for creating topological superconductivity, which is based on an unconventional superconductor with a chain of non-magnetic adatoms on its surface. The topological phase can be reached by tuning the magnitude and direction of a Zeeman field, such that Majorana zero modes at its boundary can be generated, moved and fused. To demonstrate the feasibility of this platform, we develop a general mapping of films with adatom chains to one-dimensional lattice Hamiltonians. This allows us to study unconventional superconductors such as Sr$_2$RuO$_4$ exhibiting multiple bands and an anisotropic order parameter.

cond-mat.supr-con↗

arXiv2021

Orbital-dependent self-energy effects and consequences for the superconducting gap structure in multi-orbital correlated electron systems

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.

cond-mat.supr-con↗

arXiv2021

Multi-Atom Quasiparticle Scattering Interference for Superconductor Energy-Gap Symmetry Determination

Complete theoretical understanding of the most complex superconductors requires a detailed knowledge of the symmetry of the superconducting energy-gap $Δ_\mathbf{k}^α$, for all momenta $\mathbf{k}$ on the Fermi surface of every band $α$. While there are a variety of techniques for determining $|Δ_\mathbf{k}^α|$, no general method existed to measure the signed values of $Δ_\mathbf{k}^α$. Recently, however, a new 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 $Δ_\mathbf{k}^α$ 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 $Δ_\mathbf{k}^α$ it generates to the $Δ_\mathbf{k}^α$ determined from single-atom scattering in FeSe where $s_{\pm}$ 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 $Δ_\mathbf{k}^α$ of opposite sign.

cond-mat.supr-con↗

arXiv2020

Inter-orbital nematicity and the origin of a single electron Fermi pocket in FeSe

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.

cond-mat.supr-con↗

arXiv2020

On the Remarkable Superconductivity of FeSe and its Close Cousins

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.

cond-mat.supr-con↗

arXiv2020

Bogoliubov Fermi Surfaces in Spin-1/2 Systems: Model Hamiltonians and Experimental Consequences

Bogoliubov Fermi surfaces (BFSs) are topologically protected regions of zero energy excitations in a superconductor whose dimension equals that of the underlying normal state Fermi surface. Examples of Hamiltonians exhibiting this "ultranodal" phase are known to preserve charge-conjugation ($C$) and parity ($P$) but break time-reversal ($T$). In this work, we provide examples of model Hamiltonians that do not necessarily preserve this symmetry pattern but have well-defined sign-changing Pfaffians yielding BFSs. While their topological character has not been recognized previously, some of the models we present have been extensively studied in prior literature. We further examine thermodynamic and electronic properties arising from the ultranodal state. In particular, we study the effect of a weak Zeeman field close to the topological transition and propose distinguishing features of BFSs using residual specific heat and tunneling conductance. Our calculation of the superfluid density in a toy multi-band model indicates a window of interband pairing strength where BFSs are stable with a positive superfluid density. We also present additional signatures of BFSs in spin-polarized spectral weight and total magnetization measurements.

cond-mat.supr-con↗

arXiv2020

Non-local correlations in Iron Pnictides and Chalcogenides

Deviations of low-energy electronic structure of iron-based superconductors from density functional theory predictions have been parametrized in terms of band- and orbital-dependent mass renormalizations and energy shifts. The former have typically been described in terms of a local self-energy within the framework of dynamical mean field theory, while the latter appears to require non-local effects due to interband scattering. By calculating the renormalized bandstructure in both random phase approximation (RPA) and the two-particle self-consistent approximation (TPSC), we show that correlations in pnictide systems like LaFeAsO and LiFeAs can be described rather well by a non-local self-energy. In particular, Fermi pocket shrinkage as seen in experiment occurs due to repulsive interband finite-energy scattering. For the canonical iron chalcogenide system FeSe in its bulk tetragonal phase, the situation is however more complex since even including momentum-dependent band renormalizations cannot explain experimental findings. We propose that the long-range Coulomb interaction may play an important role in band-structure renormalization in FeSe. We further compare our evaluations of non-local quasiparticle scattering lifetime within RPA and TPSC with experimental data for LiFeAs.

cond-mat.str-el↗