arXiv subjects

Qimiao Si

Publications and source records attributed to Qimiao Si.

At least 19 recordsLinked to original sources

arXiv2026

Topology and compact molecular orbitals in twisted bilayer WSe$_2$

Recent observations of superconductivity in twisted bilayer WSe$_2$ (tWSe$_2$) have motivated theoretical proposals for unconventional pairing mechanisms. A central question is whether band topology plays an essential role in the system's correlation physics. In this letter, we develop a first-principles-based description of the top moir\'e valence bands in tWSe$_2$. Using density functional theory (DFT) calculations, we identify the bands in the relevant range of twist angles to be topologically non-trivial, with the top valence bands carrying Chern numbers $C=(+1,+1)$ for the $K$ valley. In order to treat the strong correlation physics, we construct compact molecular orbitals directly from the DFT wave functions through a partial Wannierization procedure and with the guidance of spinful $C_{3z}$ symmetry representations. This yields a localized $f$ orbital together with a complementary topological $c$ orbital, allowing us to extract hopping and hybridization amplitudes from first principles. The resulting parameters provide an ab initio benchmark for the effective Hamiltonian. Our work establishes a foundation for understanding superconductivity in moir\'e TMDs and highlights tWSe$_2$ as a promising platform for exploring topological superconductivity.

cond-mat.str-el↗

arXiv2026

Quantum Fisher information of magnetic quantum phase transition on Kondo lattice

Strange metals exemplify highly collective quantum many-body systems that call for new means of characterization, and there is considerable potential for quantum information approaches contributing to the cause. We investigate multipartite entanglement across the quantum phase transition of a Kondo lattice model using the quantum Fisher information (QFI). We show that the QFI associated with the spin components transverse to the order parameter characterizes the destruction of heavy quasiparticles in the Kondo-destroyed magnetic-ordered phase. The physical origin of this observation is elucidated through an analysis of the antiferromagnetic Heisenberg model. We propose to test the results in terms of both unpolarized and polarized inelastic neutron scattering measurements in the ordered part of the heavy fermion phase diagram. Our findings illustrate how different operators of a many-body system can be employed to not only witness multipartite entanglement in different sectors and but also elucidate the overall physics across different parts of the phase diagram.

cond-mat.str-el↗

arXiv2026

Magnetic Order in bilayer Ruddlesden-Popper Nickelates

The recent discovery of high-temperature superconductivity in the bilayer nickelate La$_3$Ni$_2$O$_7$ has led to extensive interest in the correlation physics of its normal state. Given that the superconducitivity develops near a density wave order in the phase diagram, it is important to elucidate the nature of this order. Based on the accumulated experimental evidence for a bad metal state in proximity to an orbital-selective Mott phase, here we describe magnetic correlations of the system in a conceptually new way -- in terms of effective local moments experiencing a combination of RKKY and superexchange interactions. This gives rise to a magnetic order with a wavevector that is close to $\mathbf{Q}=(\pi/2,\pi/2)$ and, at the same time, yields a clear understanding of the associated spin dynamics. Our results are consistent with the rapidly emerging experiments about the magnetic correlations in the density wave order of the bilayer nickelate. Implications for unconventional superconductivity in this and related multiorbital systems are discussed.

cond-mat.supr-con↗

arXiv2026

Nonperturbative Nonlinear Hall Effect in Nonequilibrium Steady States

The nonlinear Hall effect in quantum materials has attracted broad interest, yet most existing studies focus on the weak-field, perturbative regime. Here we develop a nonperturbative approach based on nonequilibrium steady-state Green's functions for dc-field-driven lattice systems, with dissipation and interactions incorporated through self-energies beyond the constant relaxation-time approximation and interband transitions treated alongside their intraband counterparts. Applied to a two-band semimetal model, our approach provides direct access to the strong-field Hall response beyond the nonperturbative crossover where the edge of the nonequilibrium distribution reaches Berry-curvature hot spots, a regime in which constant relaxation-time estimates and Berry curvature dipole calculations become unreliable. We further demonstrate that interaction and electron-phonon self-energies within dynamical mean-field theory can substantially change the Hall signal. Our framework enables quantitative simulations of nonequilibrium nonlinear Hall phenomena and provides guidance for strong-field transport experiments.

cond-mat.str-el↗

arXiv2026

Signatures of Green's function zeros and their topology using impurity spectroscopy

Topology without quasiparticles has emerged as a key framework for understanding Mott insulators, where Green's-function zeros encode nontrivial topological structure. Yet, experimental detection of these zeros represents a challenge. Using exact diagonalization of the one-dimensional Hubbard model with an impurity and Zeeman field, supported by exact analytic results, we show that Green's-function zeros manifest as an in-gap spectral weight in the unitary scattering regime. In this limit, we map the impurity problem onto a doped Mott insulator and identify the resulting in-gap state as a "zeron" excitation which is a localized doublon (holon) for an attractive (repulsive) potential. The zeron spectral weight and its associated zero vanish above a critical Zeeman field. Our results imply that Green's function zeros have in fact already been observed in experiments, and establish impurity and magnetic-field tuning as practical tools for controlling their topology.

cond-mat.str-el↗

arXiv2026

Chiral Weyl-Kondo semimetals and hexagonal heavy fermion systems

Strong correlation, in concert with symmetry and topology, engenders novel gapless phases of matter, though only a tip of the iceberg has been seen. An exemplary framework is provided by Weyl-Kondo semimetals, in which Weyl fermions develop through crystalline symmetry constraints on the emergent low-energy heavy-fermion excitations. This paradigm has opened up new opportunities to explore correlated topologies without a noninteracting counterpart, but fully realizing this potential requires a large base of candidate materials. Here we confront the challenge on both fronts by studying heavy fermion systems with hexagonal space groups. This family contains a large number of chiral nonsymmorphic crystal structures that promote Weyl degeneracies and, in addition, feature geometric frustration in the $f$-electron magnetism. Our calculations for the heavy fermion states identify Weyl-Kondo semimetals with chiral or achiral Weyl nodes in the respective structural classes. We also develop the first search strategy of any kind for the difficult case of strongly correlated materials, which is also suitable for automation, using a combination of materials database, symmetry classification and search for desired experimental properties, and propose as candidate topological heavy fermion systems the chiral CePt$_2$B and achiral Ce$_2$NiGe$_3$ and Ce$_6$Co$_{2-\delta}$Si$_3$. Our findings raise the prospect for strongly correlated metallic topology in the unusual setting of exotic quantum magnetism and, moreover, point a way to go beyond serendipity in the search for novel strongly correlated quantum materials.

cond-mat.str-el↗

arXiv2026

Uniaxial strain tuned magnetism of the altermagnet candidate h-FeS

Altermagnets are collinear magnetic materials with 'alter'nating local crystalline environments, characterized by joint spin and crystalline symmetries that enable ferromagnetic-like transport properties but with vanishing net magnetization. Hexagonal FeS (h-FeS) is a recently identified altermagnet candidate that shows a spontaneous anomalous Hall effect (AHE) accompanied by a tiny net magnetization. Here, we show that both the spontaneous AHE and magnetization can be effectively suppressed by an in-plane compressive strain. Since neutron diffraction measurements show that the applied uniaxial strain only modifies the in-plane domain population but does not affect the in-plane magnetic structure, the major effect of the applied strain is to tune the small $c$-axis ferromagnetic moment. Our results demonstrate a strong correlation between the tiny net magnetization and the spontaneous AHE in h-FeS, and show that uniaxial strain provides an effective knob to tune both properties in this altermagnet candidate for spintronic applications.

cond-mat.mtrl-sci↗

arXiv2025

Perturbative Kondo destruction and global phase diagram of heavy fermion metals

Strange metals represent a foundational problem in quantum condensed matter physics, and heavy fermion systems provide a canonical setting to advance a general understanding. The concept of a Kondo destruction quantum critical point is widely invoked to describe the competition of the Kondo effect and the local-moment magnetism. Here, we develop a unified field-theoretic approach, analyzing this competition from a rare approach that is anchored by the magnetically ordered side. Our analysis reveals, for the first time within a renormalization group framework, a quantum critical point across which the Kondo effect goes from being destroyed to dominating. Our findings elucidate not only the Kondo destruction quantum criticality but also an accompanying global phase diagram of heavy fermion metals.

cond-mat.str-el↗

arXiv2025

Amplified response of cavity-coupled quantum-critical systems

A quantum critical point develops when matter undergoes a continuous transformation between distinct ground states at absolute zero. It hosts pronounced quantum fluctuations, which render the system highly susceptible to external perturbations. While light-matter coupling has rapidly moved forward as a means to probe and control quantum materials, the capacity of quantum critical fluctuations in the photon-mediated responses has been largely unexplored. Here we advance the notion that directly coupling a quantum critical mode to a quantized cavity field dramatically facilitates the realization of the elusive superradiant phase transition in equilibrium, circumventing at once the key obstacles that have prevented its attainment in spite of decades of pursuit. The superradiant phase transition develops far below the ultrastrong regime of light-matter couplings, and the transition is accompanied by the hybrid system showing strongly enhanced intrinsic squeezing and amplified quantum Fisher information. We also identify candidate cavity quantum materials platforms for validating the proposed effect. Our findings suggest a general principle by which quantum criticality amplifies the response to cavity photons. They also demonstrate that cavity coupling accesses the elevated quantum entanglement of the underlying matter at quantum criticality, thereby pointing to a pathway towards realizing the potential of highly collective quantum materials to expand the capacities of quantum information science.

cond-mat.str-el↗

arXiv2025

Kondo destruction quantum critical point: fixed point annihilation and thermodynamic stability

A wide range of strongly correlated electron systems exhibit strange metallicity, and they are increasingly recognized as in proximity to correlation-driven localization-delocalization transitions. A prototype setting arises in heavy fermion metals, where the proximity to the electron localization is manifested as Kondo destruction. Here we show that the Kondo destruction quantum critical point is linked to the phenomenon of fixed point annihilation. This connection reveals the absence of residual entropy density at the quantum critical point and, thus, its thermodynamic stability. Broader implications of our results are discussed.

cond-mat.str-el↗

arXiv2025

Dichotomy of flat bands in the van der Waals ferromagnet Fe$_5$GeTe$_2$

Quantum materials with bands of narrow bandwidth near the Fermi level represent a promising platform for exploring a diverse range of fascinating physical phenomena, as the high density of states within the small energy window often enables the emergence of many-body physics. On one hand, flat bands can arise from strong Coulomb interactions that localize atomic orbitals. On the other hand, quantum destructive interference can quench the electronic kinetic energy. Although both have a narrow bandwidth, the two types of flat bands should exhibit very distinct spectral properties arising from their distinctive origins. So far, the two types of flat bands have only been realized in very different material settings and chemical environments, preventing a direct comparison. Here, we report the observation of the two types of flat bands within the same material system--an above-room-temperature van der Waals ferromagnet, Fe$_{5-x}$GeTe$_2$, distinguishable by a switchable iron site order. The contrasting nature of the flat bands is also identified by the remarkably distinctive temperature-evolution of the spectral features, indicating that one arises from electron correlations in the Fe(1) site-disordered phase, while the other geometrical frustration in the Fe(1) site-ordered phase. Our results therefore provide a direct juxtaposition of the distinct formation mechanism of flat bands in quantum materials, and an avenue for understanding the distinctive roles flat bands play in the presence of magnetism, topology, and lattice geometrical frustration, utilizing sublattice ordering as a key control parameter.

cond-mat.str-el↗

arXiv2025

Topological chiral superconductivity from antiferromagnetic correlations in moir\'{e} bands with extreme spin-orbit coupling

Motivated by the strong-correlation phenomenology observed near the superconducting phase in twisted bilayer WSe$_2$, we study multi-orbital $t$-$J$ models that are derived from different parameter regimes. The models contain effective antiferromagnetic interactions that are influenced by the strong underlying spin-orbit coupling. The possible superconducting pairing states are investigated in these models. We find that the preferred pairing order parameters are associated with the $^{1,2}E$ representations of the three-fold rotation symmetry operator $C_3$, with the $p\pm i p$ component intermixing with the $d\pm id$ component. The chiral superconducting states are shown to be topological, based on the Wilson loops of the corresponding Bogoliubov quasiparticles. We discuss the implications of our findings for experimental observations, as well as the new connections our results uncover between the moir\'{e} superconductivity and its counterpart in bulk quantum materials.

cond-mat.supr-con↗

arXiv2025

Suppression of shot noise at a Kondo destruction quantum critical point

Strange metal behavior has been observed in an expanding list of quantum materials, with heavy fermion metals serving as a prototype setting. Among the intriguing questions is the nature of charge carriers; there is an increasing recognition that the quasiparticles are lost, as captured by Kondo destruction quantum criticality. Among the recent experimental advances is the measurement of shot noise in a heavy-fermion strange metal. We are thus motivated to study current fluctuations by advancing a minimal Bose-Fermi Kondo lattice model, which admits a well-defined large-$N$ limit. Showing that the model in equilibrium captures the essential physics of Kondo destruction, we proceed to derive quantum kinetic equations and compute shot noise to the leading nontrivial order in $1/N$. Our results reveal a strong suppression of the shot noise at the Kondo destruction quantum critical point, thereby providing the understanding of the striking experiment. Broader implications of our results are discussed.

cond-mat.str-el↗

arXiv2025

Nematicity in iron pnictides: phase competition and emergent symmetry

The phase diagram of iron-based superconductors contains a host of electronic orders, which are intimately connected with their superconductivity. Here we analyze the fluctuations of one type of nematic order in another. Our analysis leads to an emergent U(1) symmetry at a first-order transition between a nematic phase and a $C_4$-symmetric charge-ordered phase. We characterize the continuous symmetry in terms of a certain hidden Lie algebra that links the different orders. This emergent symmetry leads to a Goldstone mode at the transition and causes softening of excitations in the nematic and charge sectors near the transition. The underlying physics bears a resemblance to the anisotropic XZ spin model, with the nematic order and charge $C_4$ order parameters playing the roles of the $x$ and $z$ components of the magnetization vector, respectively. We provide the experimental evidence in support of the proposed effects, and discuss the general implications of our results for the physics of iron-based superconductors and other correlated systems.

cond-mat.str-el↗

arXiv2025

Nonlinear thermal and thermoelectric transport from quantum geometry

Quantum geometry may enable the development of quantum phases ranging from superconductivity to correlated topological states. One powerful probe of quantum geometry is the nonlinear Hall response which detects Berry curvature dipole in systems with time-reversal invariance and broken inversion symmetry. With broken time-reversal symmetry, this response is also associated with quantum metric dipole. Here we investigate nonlinear thermal and thermoelectric responses, which provide a wealth of new information about quantum geometry. In particular, we uncover a web of connections between these quantities that parallel the standard Wiedemann-Franz and Mott relations. Implications for the studies of a variety of topological systems, including Weyl-Kondo semimetals and Bernal bilayer graphene, are discussed.

cond-mat.mes-hall↗

arXiv2025

Emergent heavy-fermion physics in a new family of topological insulators RAsS (R = Y, La, and Sm)

Realizing topological phases in strongly correlated materials has become a major impetus in condensed matter physics. Although many compounds are now classified as topological insulators, $f$-electron systems (with their strong electron correlations) provide an especially fertile platform for emergent heavy-fermion phenomena driven by the interplay of topology and many-body effects. In this study, we examine the crystalline topology of a new RAsS series (R = Y, La, Sm), revealing a structural variant from previous reports. We demonstrate that YAsS and SmAsS host hourglass fermions protected by glide symmetry. SmAsS notably exhibits a strong effective-mass enhancement, placing it alongside SmB${}_6$ and YbB${}_{12}$ as a material that couples topological surface states with emergent Kondo physics, yet distinguished by its crystalline symmetry constraints and $f$-$p$ orbital hybridization. To capture these features, we construct a minimal model incorporating $f$-electron degrees of freedom, which reproduces the observed topological properties and predicts that the surface states survive in the correlated regime, albeit shifted in energy. Our work thus introduces a new family of correlated topological materials and forecasts the robustness of their surface states under Kondo correlations.

cond-mat.mtrl-sci↗

arXiv2025

Kondo-lattice phenomenology of twisted bilayer WSe$_2$ from compact molecular orbitals of topological bands

The discovery of superconductivity and correlated electronic phases in twisted bilayer WSe$_2$ (Xia et al., Nature 2024; Guo et al., Nature 2025) has generated considerable excitement. Accompanying the superconductivity and a correlated insulator phase is the Kondo-lattice-like phenomenology in transport properties. Here we consider how such phenomenology can develop when the combination of the active bands are topological. We advance a unique construction of compact molecular orbitals through a partial Wannierization that is symmetry preserving. The resulting Anderson lattice model provides the basis for a microscopic understanding of the experimental observation, including the involved energy scales. Our approach may apply to a broad range of settings where topology and correlations interplay.

cond-mat.str-el↗

arXiv2025

Resolving the Kagome Origin of the Strange Metallicity in Ni$_3$In

Strong correlations promote singular properties such as strange metallicity, which shows considerable commonality across quantum materials platforms. Understanding the mechanism for such emerging universality is an outstanding challenge, given that the underlying degrees of freedom can be complex and varied. Progress may be made in flat band systems, especially kagome and other frustrated-lattice metals with active flat bands. These systems show strange metal behavior that bears a striking resemblance to what happens in heavy-fermion metals. Here, in scanning tunneling spectroscopy of kagome metal Ni$_3$In, we find a zero-bias peak-dip structure whose variation with magnetic field and temperature tracks the evolution of the strange metal properties. We identify the origin of the peak as compact molecular orbitals formed by destructive interference over the kagome sites, resulting in emergent $f$-shell-like localized moments. Using quasi-particle interference, we visualize their interaction with the Dirac light bands. We thus unveil the essential microscopic ingredients of the $d$-electron-based kagome metals that, while distinct from the atomic orbitals of the $f$-electron-based heavy fermion materials, are responsible for a shared phenomenology between the two types of systems. Our findings provide a new window to uncover and interconnect the essential and yet diverse microscopic building blocks in disparate families of quantum materials that drive a convergence towards a universal understanding in the regime of amplified quantum fluctuations.

cond-mat.str-el↗