arXiv subjects

Qimiao Si

Publications and source records attributed to Qimiao Si.

At least 91 records · Page 5Linked to original sources

arXiv2022

Electron correlations and charge density wave in the topological kagome metal FeGe

Charge order in kagome metals is of extensive current interest. Recently, a charge density wave was discovered in the magnetic binary kagome metal FeGe. In analogy to its predecessor, the non-magnetic $A$V$_3$Sb$_5$ ($A$=K, Cs, Rb), the in-plane ordering occurs at the $M$ point. In contrast, however, the system manifestly shows effects of substantial correlations. Here we identify the topological bands crossing the Fermi energy (E$_F$) in FeGe and characterize the correlation-induced renormalization of these bands. We then derive a charge order from an effective model comprising topological kagome `flat' bands in the presence of a magnetic order. We demonstrate edge states as well as excess out-of-plane magnetic moment associated with the charge order; both are fingerprints of non-trivial band topology and consistent with recent experimental observations. Our results point to FeGe as an ideal platform to realize and elucidate correlated topological physics.

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arXiv2021

Multiorbital spin-triplet pairing and spin resonance in the heavy-fermion superconductor $\mathrm{UTe_2}$

The heavy-fermion system $\mathrm{UTe_2}$ is a candidate for spin-triplet superconductivity, which is of considerable interest to quantum engineering. Among the outstanding issues is the nature of the pairing state. A recent surprising discovery is the observation of a resonance in the spin excitation spectrum at an antiferromagnetic wavevector [C. Duan {\it et al.}, Nature \textbf{600}, 636 (2021)], which stands in apparent contrast to the ferromagnetic nature of the interactions expected in this system. We show how the puzzle can be resolved by a multiorbital spin-triplet pairing constructed from local degrees of freedom. Because it does not commute with the kinetic part of the Hamiltonian, the pairing contains both intra- and inter-band terms in the band basis. We demonstrate that the intraband pairing component naturally yields a spin resonance at the antiferromagnetic wavevector. Our work illustrates how orbital degrees of freedom can enrich the nature and properties of spin-triplet superconductivity of strongly-correlated quantum materials.

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arXiv2021

Spin-excitation anisotropy in the nematic state of detwinned FeSe

The origin of the electronic nematicity in FeSe is one of the most important unresolved puzzles in the study of iron-based superconductors. In both spin- and orbital-nematic models, the intrinsic magnetic excitations at $\mathbf{Q}_1=(1, 0)$ and $\mathbf{Q}_2=(0, 1)$ of twin-free FeSe are expected to provide decisive criteria for clarifying this issue. Although a spin-fluctuation anisotropy below 10 meV between $\mathbf{Q}_1$ and $\mathbf{Q}_2$ has been observed by inelastic neutron scattering around $T_c\sim 9$ K ($<<T_s\sim 90$ K), it remains unclear whether such an anisotropy also persists at higher energies and associates with the nematic transition $T_{\rm s}$. Here we use resonant inelastic x-ray scattering (RIXS) to probe the high-energy magnetic excitations of uniaxial-strain detwinned FeSe and {\BFA}. A prominent anisotropy between the magnetic excitations along the $H$ and $K$ directions is found to persist to $\sim200$ meV in FeSe, which is even more pronounced than the anisotropy of spin waves in {\BFA}. This anisotropy decreases gradually with increasing temperature and finally vanishes at a temperature around the nematic transition temperature $T_{\rm s}$. Our results reveal an unprecedented strong spin-excitation anisotropy with a large energy scale well above the $d_{xz}/d_{yz}$ orbital splitting, suggesting that the nematic phase transition is primarily spin-driven. Moreover, the measured high-energy spin excitations are dispersive and underdamped, which can be understood from a local-moment perspective. Our findings provide the much-needed understanding of the mechanism for the nematicity of FeSe and points to a unified description of the correlation physics across seemingly distinct classes of Fe-based superconductors.

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arXiv2021

Resonance from antiferromagnetic spin fluctuations for superconductivity in UTe$_2$

Superconductivity originates from the formation of bound (Cooper) pairs of electrons that can move through the lattice without resistance below the superconducting transition temperature $T_c$. Electron Cooper pairs in most superconductors form anti-parallel spin singlets with total spin $S=0$, although they can also form parallel spin-triplet Cooper pairs with $S=1$ and an odd parity wavefunction. Spin-triplet pairing is important because it can host topological states and Majorana fermions relevant for quantum computation. Because spin-triplet pairing is usually mediated by ferromagnetic (FM) spin fluctuations, uranium based materials near an FM instability are considered to be ideal candidates for realizing spin-triplet superconductivity. Indeed, UTe$_2$, which has a $T_c\approx 1.6$ K, has been identified as a candidate for a chiral spin-triplet topological superconductor near an FM instability, although it also has antiferromagnetic (AF) spin fluctuations. Here we use inelastic neutron scattering (INS) to show that superconductivity in UTe$_2$ is coupled to a sharp magnetic excitation, termed resonance, at the Brillouin zone boundary near AF order. Because the resonance has only been found in spin-singlet unconventional superconductors near an AF instability, its observation in UTe$_2$ suggests that AF spin fluctuations may also induce spin-triplet pairing or that electron pairing in UTe$_2$ has a spin-singlet component.

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arXiv2021

Local dynamics and thermal activation in the transverse-field Ising chain

There has been considerable recent progress in identifying candidate materials for the transverse-field Ising chain (TFIC), a paradigmatic model for quantum criticality. Here, we study the local spin dynamical structure factor of different spin components in the quantum disordered region of the TFIC. We show that the low-frequency local dynamics of the spins in the Ising- and transverse-field directions have strikingly distinctive temperature dependencies. This leads to the thermal-activation gap for the secular term of the NMR $1/T_2^{\prime}$ relaxation rate to be half of that for the $1/T_1$ relaxation rate. Our findings reveal a new surprise in the nonzero-temperature dynamics of the venerable TFIC model and uncover a means to evince the material realization of the TFIC universality.

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arXiv2021

The many faces (phases) of strong correlations

There has been considerable recent progress in discovering and understanding quantum phases and fluctuations produced by strong correlations. Heavy fermion systems are an ideal platform for systematic studies because low and competing energy scales make them highly tunable. As such the phases (faces) of strong correlations transform continuously into one another.

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arXiv2021

Electron correlations and $T$-breaking density wave order in a $\mathbb{Z}_2$ kagome metal

There have been extensive recent developments on kagome metals, such as T$_m$X$_n$ (T= Fe, Co and X= Sn, Ge) and $A$V$_3$Sb$_5$ ($A=$ Cs, K, Rb). An emerging issue is the nature of correlated phases when topologically \textit{non-trivial} bands cross the Fermi level. Here, we consider an extended Hubbard model on the kagome lattice in the presence of spin-orbit couplings, involving a Kramer's pair of bands that have opposite Chern numbers and are isolated in the band structure. We construct an effective model in a time-reversal (T) symmetric lattice description. We determine the correlated phases of this model and identify a density-wave order in the phase diagram. We show that this order is T-breaking, which originates from the Wannier orbitals lacking a common Wannier center -- a fingerprint of the underlying $Z_2$ topology. Implications of our results for the correlation physics of the kagome metals are discussed.

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arXiv2021

Spin-singlet and spin-triplet pairing correlations in antiferromagnetically coupled Kondo systems

Recent experiments in quantum critical heavy fermion metals have pushed to the fore the question about whether antiferromagnetic fluctuations can promote both spin-singlet and spin-triplet superconductivity. Here we address the issue through non-perturbative calculations in antiferromagnetically correlated Kondo systems. We identify Kondo-destruction quantum critical points in both the SU(2) symmetric and Ising-anisotropic cluster Bose-Fermi Anderson models. The spin-singlet pairing correlations are significantly enhanced near the quantum critical point in the SU(2) case; however, with adequate but still realistic degree of Ising anisotropy, the spin-triplet pairing correlations are competitive. Our results demonstrate that spin-flip processes strengthen the spin-singlet pairing at the Kondo-destruction quantum critical points, and point towards a way for antiferromagnetic correlations to drive spin-triplet pairing. Further implications of our findings in the broader context of strongly correlated superconductivity are discussed.

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arXiv2021

Unconventional Superconductivity from Fermi Surface Fluctuations in Strongly Correlated Metals

In quantum materials, electrons that have strong correlations tend to localize, leading to quantum spins as the building blocks for low-energy physics. When strongly correlated electrons coexist with more weakly-correlated conduction electrons, multiple channels of effective interactions develop and compete with each other. The competition creates quantum fluctuations having a large spectral weight, with the associated entropies reaching significant fractions of $R\ln 2$ per electron. Advancing a framework to understand how the fluctuating local moments influence unconventional superconductivity is both pressing and challenging. Here we do so in the exemplary setting of heavy-fermion metals, where the amplified quantum fluctuations manifest in the form of Kondo destruction and large-to-small Fermi-surface fluctuations. These fluctuations lead to unconventional superconductivity whose transition temperature is exceptionally high relative to the effective Fermi temperature, reaching several percent of the Kondo temperature scale. Our results provide a natural understanding of the enigmatic superconductivity in a host of heavy-fermion metals. Moreover, the qualitative physics underlying our findings and their implications for the formation of unconventional superconductivity apply to a variety of highly correlated metals with strong Fermi surface fluctuations.

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arXiv2021

Matrix-pairing states in the alkaline Fe-selenide superconductors: exotic Josephson junctions

True to their unconventional nature, multi-band alkaline Fe-selenides and, more recently, the heavy-fermion CeCu$_{2}$Si$_{2}$ have shown signatures of fully-gapped but sign-changing superconductivity (SC). A two-orbital pairing state, called $sτ_{3}$, with non-trivial matrix structure, was proposed as a candidate able to reconcile the seemingly contradictory properties of these SC's. Motivated by the non-trivial orbital structure of the proposed $sτ_{3}$ state, which has orbital-selective pairing structure, we study prototypical Josephson junctions where at least one of the leads is in a SC state of this kind. An analysis of these junctions in the limit of two degenerate orbitals (bands) and with a simple form of junction hybridization reveals several remarkable properties. One is the emergence of gapless, purely electron- and hole-like bound states for $sτ_{3}-N-sτ_{3}$ junctions with arbitrary global phase difference between the leads, and likewise for $sτ_{3}-N-I$ junctions. The other is the absence of static Josephson currents when both leads are SC's. In both of these signatures, $sτ_{3}$ junctions are dramatically different from conventional Josephson junctions. We also find that the gapless bound states are protected by an orbital-exchange symmetry, although the protection is not topological. Junctions which break this symmetry, such as $sτ_{3}-N-s$, have gapped Andreev bound states. In general, the Josephson effect also re-emerges once the degeneracy of the two orbitals is lifted. We support these conclusions via analytical and numerical results for the bound states, together with microscopic calculations of the Josephson current. Our results indicate that junctions involving $sτ_{3}$ pairing in alkaline Fe-selenides's will generically have bound states with a small gap together with a greatly suppressed Josephson current.

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arXiv2021

Extreme topological tunability of Weyl-Kondo semimetal to Zeeman coupling

There is considerable interest in the intersection of correlations and topology, especially in metallic systems. Among the outstanding questions are how strong correlations drive novel topological states and whether such states can be readily controlled. Here we study the effect of a Zeeman coupling on a Weyl-Kondo semimetal in a nonsymmorphic and noncentrosymmetric Kondo-lattice model. A sequence of distinct and topologically nontrivial semimetal regimes are found, each containing Kondo-driven and Fermi-energy-bound Weyl nodes. The nodes annihilate at a magnetic field that is smaller than what it takes to suppress the Kondo effect. As such, we demonstrate an extreme topological tunability that is isolated from the tuning of the strong correlations per se. Our results are important for experiments in strongly correlated systems, and set the stage for mapping out a global phase diagram for strongly correlated topology.

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arXiv2021

Controlling electronic topology in a strongly correlated electron system

Combining strong electron correlations [1-4] and nontrivial electronic topology [5] holds great promise for discovery. So far, this regime has been rarely accessed and systematic studies are much needed to advance the field. Here we demonstrate the control of topology in a heavy fermion system. We use magnetic field to manipulate Weyl nodes in a Weyl-Kondo semimetal [6-8], up to the point where they annihilate in a topological quantum phase transition. The suppression of the topological characteristics occurs in an intact and only weakly varying strongly correlated "background". Thus, topology is changing per se and not as a consequence of a change of the correlation state, for instance across a magnetic, electronic or structural phase transition. Our demonstration of genuine topology tuning in a strongly correlated electron system sets the stage for establishing global phase diagrams of topology, an approach that has proven highly valuable to explore and understand topologically trivial strongly correlated electron systems [1-4]. Our work also lays the ground for technological exploitations of controlled electronic topology.

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arXiv2021

Orbital-selective correlations and renormalized electronic structure in LiFeAs

Multiorbital models are important to both the correlation physics and topological behavior of quantum materials. LiFeAs is a prototype iron pnictide suitable for indepth investigation of this issue. Its electronic structure is strikingly different from the prediction of the noninteracting description. Here, a multiorbital Hubbard model for this compound is studied using a $U(1)$ slave spin theory. We demonstrate a new mechanism for a large change in the size of the Fermi surface, namely, orbital selectivity of the energy-level renormalization cooperating with its counterpart in the quasiparticle spectral weight. Using this effect, we show how the dominating features of the electronic structure in LiFeAs are understood in terms of the local correlations alone. Our results reveal a remarkable degree of universality out of the seemingly complex multiorbital building blocks across a broad range of strongly correlated superconductors.

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arXiv2021

Non-Thermal Emergence of an Orbital-Selective Mott Phase in FeTe$_{1-x}$Se$_x$

Electronic correlation is of fundamental importance to high temperature superconductivity. Iron-based superconductors are believed to possess moderate correlation strength, which combined with their multi-orbital nature makes them a fascinating platform for the emergence of exotic phenomena. A particularly striking form is the emergence of an orbital selective Mott phase, where the localization of a subset of orbitals leads to a drastically reconstructed Fermi surface. Here, we report spectroscopic evidence of the reorganization of the Fermi surface from FeSe to FeTe as Se is substituted by Te. We uncover a particularly transparent way to visualize the localization of the $d_{xy}$ electron orbital through the suppression of its hybridization with the more coherent $d$ electron orbitals, which leads to a redistribution of the orbital-dependent spectral weight near the Fermi level. These noteworthy features of the Fermi surface are accompanied by a divergent behavior of a band renormalization in the $d_{xy}$ orbital. All of our observations are further supported by our theoretical calculations to be salient spectroscopic signatures of such a non-thermal evolution from a strongly correlated metallic phase towards an orbital-selective Mott phase in FeTe$_{1-x}$Se$_x$ as Se concentration is reduced.

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arXiv2021

Quantum phases driven by strong correlations

It has long been thought that strongly correlated systems are adiabatically connected to their noninteracting counterpart. Recent developments have highlighted the fallacy of this traditional notion in a variety of settings. Here we use a class of strongly correlated electron systems as a platform to illustrate the kind of quantum phases and fluctuations that are created by strong correlations. Examples are quantum critical states that violate the Fermi liquid paradigm, unconventional superconductivity that goes beyond the BCS framework, and topological semimetals induced by the Kondo interaction. We assess the prospect of designing other exotic phases of matter, by utilizing alternative degrees of freedom or alternative interactions, and point to the potential of these correlated states for quantum technology.

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arXiv2021

Giant spontaneous Hall effect in a nonmagnetic Weyl-Kondo semimetal

Nontrivial topology in condensed matter systems enriches quantum states of matter, to go beyond either the classification into metals and insulators in terms of conventional band theory or that of symmetry broken phases by Landau's order parameter framework. So far, focus has been on weakly interacting systems, and little is known about the limit of strong electron correlations. Heavy fermion systems are a highly versatile platform to explore this regime. Here we report the discovery of a giant spontaneous Hall effect in the Kondo semimetal Ce3Bi4Pd3 that is noncentrosymmetric but preserves time reversal symmetry. We attribute this finding to Weyl nodes - singularities of the Berry curvature - that emerge in the immediate vicinity of the Fermi level due to the Kondo interaction. We stress that this phenomenon is distinct from the previously detected anomalous Hall effect in materials with broken time reversal symmetry; instead, it manifests an extreme topological response that requires a beyond-perturbation-theory description of the previously proposed nonlinear Hall effect. The large magnitude of the effect in even tiny electric and zero magnetic fields, as well as its robust bulk nature may aid the exploitation in topological quantum devices.

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arXiv2021

Inhomogeneous Kondo-lattice in geometrically frustrated Pr$_{2}$Ir$_{2}$O$_{7}$

Magnetic fluctuations induced by geometric frustration of local Ir-spins disturb the formation of long range magnetic order in the family of pyrochlore iridates, R$_{2}$Ir$_{2}$O$_{7}$ (R = lanthanide)$^{1}$. As a consequence, Pr$_{2}$Ir$_{2}$O$_{7}$ lies at a tuning-free antiferromagnetic-to-paramagnetic quantum critical point and exhibits a diverse array of complex phenomena including Kondo effect, biquadratic band structure, metallic spin-liquid (MSL), and anomalous Hall effect$^{2-5}$. Using spectroscopic imaging with the scanning tunneling microscope, complemented with machine learning K-means clustering analysis, density functional theory, and theoretical modeling, we probe the local electronic states in single crystal of Pr$_{2}$Ir$_{2}$O$_{7}$ and discover an electronic phase separation. Nanoscale regions with a well-defined Kondo resonance are interweaved with a non-magnetic metallic phase with Kondo-destruction. Remarkably, the spatial nanoscale patterns display a correlation-driven fractal geometry with power-law behavior extended over two and a half decades, consistent with being in proximity to a critical point. Our discovery reveals a new nanoscale tuning route, viz. using a spatial variation of the electronic potential as a means of adjusting the balance between Kondo entanglement and geometric frustration.

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arXiv2020

Multiorbital singlet pairing and $d+d$ superconductivity

Recent experiments in multiband Fe-based and heavy-fermion superconductors have challenged the long-held dichotomy between simple $s$- and $d$-wave spin-singlet pairing states. Here, we advance several time-reversal-invariant irreducible pairings that go beyond the standard singlet functions through a matrix structure in the band/orbital space, and elucidate their naturalness in multiband systems. We consider the $sτ_{3}$ multiorbital superconducting state for Fe-chalcogenide superconductors. This state, corresponding to a $d+d$ intra- and inter-band pairing, is shown to contrast with the more familiar $d +\text{i}d$ state in a way analogous to how the B- triplet pairing phase of \enhe superfluid differs from its A- phase counterpart. In addition, we construct an analogue of the $sτ_{3}$ pairing for the heavy-fermion superconductor CeCu$_{2}$Si$_{2}$, using degrees-of-freedom that incorporate spin-orbit coupling. Our results lead to the proposition that $d$-wave superconductors in correlated multiband systems will generically have a fully-gapped Fermi surface when they are examined at sufficiently low energies.

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