arXiv subjects

Heqiu Li

Publications and source records attributed to Heqiu Li.

At least 19 recordsLinked to original sources

arXiv2026

Large scale theoretical investigation of the phase diagram of twisted bilayer MoTe$_2$ at fractional fillings: agreements and contradictions with current experiments

We present a comprehensive exact-diagonalization study of interaction-driven phases in twisted bilayer MoTe$_2$ across experimentally relevant twist angles ($2.13^\circ$--$4^\circ$) and hole fillings. Using continuum-model moir\'e bands, we compare the one-band-per-valley (1BPV) projection with a two-band-per-valley (2BPV) calculation that includes interaction-driven band mixing, and we benchmark both the widely used first-harmonic continuum model and a parameter-free DFT ``fitting-free'' model. At odd-denominator fillings, the 2BPV calculation reproduces the experimentally observed hierarchy of fractional Chern insulators (FCIs) around $\theta\approx 3.7^\circ$, including robust incompressible states at $\nu=-2/3$, $-3/5$, and $-4/7$ while correctly finding the absence of an FCI at $\nu=-3/7$, and it favors a charge density wave ground state at $\nu=-1/3$ over the FCI. At half filling $\nu=-1/2$, the 1BPV calculation exhibits clear composite Fermi liquid (CFL) signatures, whereas the band mixing in 2BPV calculations destabilizes the CFL ground state. Finally, motivated by the Landau-level analogy at $\theta\approx 2.13^\circ$, we test the proposed non-abelian Pfaffian state at $\nu=-3/2$ in the fully-polarized spin sector but find no evidence for this state within the models and parameters studied. Our results establish a unified numerical benchmark for correlated and topological phases in twisted bilayer MoTe$_2$ and clarify where multi-band physics is essential for a quantitative comparison with experiments.

cond-mat.str-el↗

arXiv2026

The "Moir\'e Capacitor Effect" and Stabilization of Fractional Chern Insulators in Rhombohedral Graphene Superlattices

While the necessity of a moir\'e potential for fractional Chern insulators (FCIs) in rhombohedral graphene-hBN superlattices, first predicted in Ref. 1, is now grounded in experiments, a theory of its origin and importance remains at large. We present a mechanism---the moir\'e capacitor effect---that enhances the moir\'e potential by electrostatically imprinting the valence charge density onto the conduction bands. We derive the analytical form of this term and reveal its crucial role in stabilizing a parent state with Chern number $C=1$ at filling $\nu=1$. We propose a parent state theory which posits that stability of the Chern insulator and flatness of its hole excitations are necessary for obtaining FCIs upon doping. We then perform multi-band exact diagonalization calculations to confirm the emergence of FCIs at $\nu = 2/3$ in the presence of the moir\'e capacitor effect. Our FCI state is stabilized by inter-band fluctuations, unlike in the moire-free case which collapses with band-mixing. We provide the first consistent theory for this state in aligned samples and explain its absence in unaligned ones.

cond-mat.str-el↗

arXiv2026

Magnon-Mediated Superconductivity in a 2D Itinerant Ferromagnet with Weak Easy-plane Magnetic Anisotropy

Motivated by recent observations of superconductivity in a quarter-metal state of spin- and valley- polarized graphene multilayers, we investigate pairing within a ferromagnetic phase of a single-valley model of itinerant two-dimensional (2D) electrons with Hubbard-type interaction and no artificial high-energy cutoff. In 2D, the Stoner transition is first-order into a fully-polarized state wherein the only gapless collective excitations are transverse magnons. We find that in a spin-SU(2) symmetric model, this magnon-mediated pairing interaction between equal-spin fermions vanishes at $T=0$. We show that a small easy-plane magnetic anisotropy $\Omega_0 \ll E_F$, where $E_F$ is the Fermi energy, breaks the SU(2) symmetry and generates an attractive interaction for equal-spin $p-$wave pairing. We explicitly derive the corresponding coupling constant $\lambda_p$ as the scaling function of both the relative strength of the easy-plane anisotropy, $\Omega_0/E_F$, and the proximity to the ferromagnetic transition. While $\lambda_p$ is parametrically small in $\Omega_0/E_F$ deep inside the ferromagnetic phase, it becomes enhanced near the ferromagnetic transition, reaching order unity regardless of how small $\Omega_0/E_F$ is. This mechanism yields a sizable $T_c$, peaked near the onset of ferromagnetism.

cond-mat.supr-con↗

arXiv2025

Multi-Band Exact Diagonalization and an Iteration Approach to Hunt For Fractional Chern Insulators in Rhombohedral Multilayer Graphene

We perform a multi-band exact diagonalization (ED) study of rhombohedral pentalayer graphene twisted on hexagonal boron nitride with a focus on fractional Chern insulators (FCI) in systems with weak moir\'e gaps, complementing the results of [Yu et al., arXiv:2407.13770]. We consider both the charge-neutrality (CN) and average (AVE) interaction schemes. Saliently and surprisingly, we now find using the particle entanglement spectrum that the FCI at filling factor 1/3 in the CN scheme predicted by single-(Hartree-Fock) band ED is unstable towards a transition to charge density wave once a small fraction of electrons is allowed to occupy the higher bands. Meanwhile, the FCI at filling 2/3 in the AVE scheme remains more robust under similar band mixing until being suppressed when increasing band mixing. To tackle truncation errors that arise from including multiple bands in larger system sizes, we propose an ED iteration method that iteratively optimizes the single-particle basis so that the particles in the ground state should reside mainly in the lowest band. Nevertheless, we find that the FCI gap remains absent after convergence when the mixing with higher bands is considered. These findings highlight the delicate sensitivity of FCIs to multi-band effects and the shortcoming of all of the current models to explain the experimental emergence of such phases.

cond-mat.str-el↗

arXiv2024

Valley polarization, magnetization, and superconductivity in bilayer graphene near the van Hove singularity

The discovery of Mott insulators and superconductivity in twisted bilayer graphene has ignited intensive research into strong correlation effects in other stacking geometries. Bernal-stacked bilayer graphene (BBG), when subjected to a perpendicular electric field, exhibits phase transitions to a variety of broken-symmetry states. Notably, superconductivity emerges when BBG is in proximity to a heavy transition-metal dichalcogenide, highlighting the role of spin-orbit coupling (SOC). Here we investigate the origin of Ising SOC and its role in the competition between superconductivity and spin- and valley-polarized states in BBG. Starting from strong electron-electron interactions on the BBG lattice, we derive a low-energy effective model near the valleys that incorporates both density-density and spin-spin interactions. Using self-consistent mean-field theory, we map out the BBG phase diagram. Our findings reveal that near the van Hove filling, a mixed spin- and valley-polarized phase dominates over superconductivity. Away from the van Hove filling, a spin-polarized, spin-triplet superconducting state arises, characterized by an in-plane orientation of the magnetic moment and an out-of-plane orientation of the d-vector. Contrary to previous proposals, we find that Ising SOC favours spin-valley order while suppressing superconductivity near the van Hove singularity. We discuss other potential proximity effects and suggest directions for future studies.

cond-mat.supr-con↗

arXiv2024

Intertwined van-Hove Singularities as a Mechanism for Loop Current Order in Kagome Metals

Recent experiments on Kagome metals AV$_3$Sb$_5$ (A=Cs,Rb,K) indicated spontaneous time-reversal symmetry breaking in the charge density wave state in the absence of static magnetization. The loop current order (LCO) is proposed as its cause, but a microscopic model explaining the emergence of LCO through electronic correlations has not been firmly established. We show that the coupling between van-Hove singularities (vHS) with distinct mirror symmetries is a key ingredient to generate LCO ground state. By constructing an effective model, we find that when multiple vHS with opposite mirror eigenvalues are close in energy, the nearest-neighbor electron repulsion favors a ground state with coexisting LCO and charge bond order. It is then demonstrated that this mechanism applies to the Kagome metals AV$_3$Sb$_5$. Our findings provide an intriguing mechanism of LCO and pave the way for a deeper understanding of complex quantum phenomena in Kagome systems.

cond-mat.str-el↗

arXiv2024

Evolution from quantum anomalous Hall insulator to heavy-fermion semimetal in magic-angle twisted bilayer graphene

The ground states of twisted bilayer graphene (TBG) at chiral and flat-band limit with integer fillings are known from exact solutions, while their dynamical and thermodynamical properties are revealed by unbiased quantum Monte Carlo (QMC) simulations. However, to elucidate experimental observations of correlated metallic, insulating and superconducting states and their transitions, investigations on realistic, or non-chiral cases are vital. Here we employ momentum-space QMC method to investigate the evolution of correlated states in magic-angle TBG away from chiral limit at charge neutrality with polarized spin/valley, which approximates to an experimental case with filling factor $ν=-3$. We find that the ground state evolves from quantum anomalous Hall insulator into an intriguing correlated semimetallic state possessing heavy-fermion features as AA hopping strength reaches experimental values. Such a state resembles the recently proposed heavy-fermion representations with localized electrons residing at AA stacking regions and delocalized electrons itinerating via AB/BA stacking regions. The spectral signatures of the localized and itinerant electrons in the heavy-fermion semimetal phase are revealed, with the connection to experimental results being discussed.

cond-mat.str-el↗

arXiv2024

Contrasting twisted bilayer graphene and transition metal dichalcogenides for fractional Chern insulators: an emergent gauge picture

The recent experimental discovery of the zero-field fractional Chern insulator (FCI) in twisted $\mathrm{MoTe_2}$ moir\'e superlattices has sparked immense interest in this exotic topological quantum state. The FCI has also been observed in previous experiments in magic angle twisted bilayer graphene (TBG) under a finite magnetic field of about 5 Tesla. Generally, the stabilization of FCI requires fine-tuning the topological band to satisfy certain conditions. It would still be helpful to have an intuitive picture to understand the different behaviors in twisted $\mathrm{MoTe_2}$ and TBG. Here, we compare them through the lens of emergent gauge fields. In TBG, the system can be mapped to two Dirac fermions coupled to emergent gauge fields with opposite signs. In contrast, the twisted $\mathrm{MoTe_2}$ reduces to a hole with parabolic dispersion coupled to an emergent gauge field. This contrasting gauge structure provides a new perspective on the observed difference: the zero-field FCI is stable in $\mathrm{MoTe_2}$ but absent in TBG. Based on this understanding, we will explore potential strategies for stabilizing FCI in both moir\'e superlattices.

cond-mat.mes-hall↗

arXiv2023

Origin of $π$-shifted three-dimensional charge density waves in kagome metal AV$_3$Sb$_5$

Understanding the nature of charge density wave (CDW) and superconductivity in kagome metal AV$_3$Sb$_5$ (A=Cs,Rb,K) is a recent subject of intensive study. Due to the presence of van Hove singularities, electron-electron interaction has been suggested to play an important role in the formation of such broken symmetry states. Recent experiments show that the CDW order is three-dimensional and it is staggered across different kagome layers. However, the experimental interpretation for the precise structure of CDW varies in terms of whether it is the star of David (SD), inverse star of David (ISD) or the alternation of the two among neighboring layers. In this work, we show that the origin of these distinct CDW orders can be understood in a unified picture by considering intra- and inter-layer electron-electron interactions as well as the coupling between electrons and lattice distortions. Utilizing an effective 9-band model with V $d$ orbitals and out-of-plane Sb $p$ orbitals, it is demonstrated that the repulsive electron-electron interaction favors charge bond order which induces either SD or ISD upon including lattice distortions. As the inter-layer interaction is introduced, $π$-shifted CDW develops with the staggered ordering along the $c$-axis. We also find that the phase with alternating SD and ISD can be stabilized as the ground state under strong inter-layer interaction.

cond-mat.str-el↗

arXiv2022

Superconductivity and bosonic fluid emerging from Moiré flat bands

Although evidence of inter-valley attraction-mediated by phonon or topological fluctuations is accumulating, the origin of superconductivity in the flat-band quantum moiré materials remains an open question. Here, instead of attempting to pinpoint the origin of the superconductivity, we aim at identifying universal properties of moiré flat bands that shall emerge in the presence of inter-valley attractions. We show that by matching the interaction strength of inter-valley attraction with intra-valley repulsion, the flat-band limit becomes exactly solvable. Away from the flat-band limit, the system can be simulated via quantum Monte Carlo (QMC) methods without sign problem for any fillings. Combining analytic solutions with large-scale numerical simulations, we show that upon increasing temperature, the superconducting phase melts into a bosonic fluid of Cooper pairs with large/diverging compressibility. In contrast to flat-band attractive Hubbard models, where similar effects arise only for on-site interactions, our study indicates this physics is a universal property of moiré flat bands, regardless of microscopic details such as the range of interactions and/or spin-oribt couplings. At higher temperature, the boson fluid phase gives its way to a pseudo gap phase, where some Cooper pairs are torn apart by thermal fluctuations, resulting in fermion density of states inside the gap. Unlike the superconducting transition temperature, which is very sensitive to doping and twisting angles, the gap and the temperature scale of the boson fluid phase and the pseudo gap phase are found to be nearly independent of doping level and/or flat-band bandwidth. The relevance of these phases with experimental discoveries in the flat band quantum moiré materials is discussed.

cond-mat.supr-con↗

arXiv2022

Quantum Monte Carlo sign bounds, topological Mott insulator and thermodynamic transitions in twisted bilayer graphene model

We show that for magic-angle twisted bilayer graphene (TBG) away from charge neutrality, although quantum Monte Carlo (QMC) simulations suffer from the sign problem, the computational complexity is at most polynomial at certain integer fillings. For even integer fillings, this polynomial complexity survives even if an extra inter-valley attractive interaction is introduced, on top of Coulomb repulsions. This observation allows us to simulate magic-angle twisted bilayer graphene and to obtain accurate phase diagram and dynamical properties. At the chiral limit and filling $ν=1$, the simulations reveal a thermodynamic transition separating metallic state and a $C=1$ correlated Chern insulator -- topological Mott insulator (TMI) -- and the pseudogap spectrum slightly above the transition temperature. The ground state excitation spectra of the TMI exhibit a spin-valley U(4) Goldstone mode and a time reversal restoring excitonic gap smaller than the single particle gap. These results are qualitatively consistent with the recent experimental findings at zero-field and $ν=1$ filling in $h$-BN nonaligned TBG.

cond-mat.str-el↗

arXiv2022

Green's Function Approach to Interacting Higher-order Topological Insulators

The Bloch wave functions have been playing a crucial role in the diagnosis of topological phases in non-interacting systems. However, the Bloch waves are no longer applicable in the presence of finite Coulomb interaction and alternative approaches are needed to identify the topological indices. In this paper, we focus on three-dimensional higher-order topological insulators protected by $C_4T$ symmetry and show that the topological index can be computed through eigenstates of inverse Green's function at zero frequency. If there is an additional $S_4$ rotoinversion symmetry, the topological index $P_3$ can be determined by eigenvalues of $S_4$ at high symmetry momenta, similar to the Fu-Kane parity criterion. We verify this method using many-body exact diagonalization in higher-order topological insulators with interaction. We also discuss the realization of this higher-order topological phase in tetragonal lattice structure with $C_4T$-preserving magnetic order. Finally, we discuss the boundary conditions necessary for the hinge states to emerge and show that these hinge states exist even when the boundary is smooth and without a sharp hinge.

cond-mat.str-el↗

arXiv2022

Thermodynamic characteristic for correlated flat-band system with quantum anomalous Hall ground state

While the ground state phase diagram of the correlated flat-band systems have been intensively investigated, the dynamic and thermodynamic properties of such lattice models are less explored, but it is the latter which is most relevant to the experimental probes (transport, quantum capacitance and spectroscopy) of the quantum moiré materials such as twisted bilayer graphene and transition metal dichalcogenides. Here we show, by means of momentum-space quantum Monte Carlo and exact diagonalization, there exists a unique thermodynamic characteristic for the correlated flat-band models with interaction-driven quantum anomalous Hall (QAH) ground state, namely, the transition from the QAH insulator to the metallic state takes place at a much lower temperature compared with the zero-temperature single-particle gap generated by the long-range Coulomb interaction. Such low transition temperature comes from the proliferation of excitonic particle-hole excitations, which "quantum teleport" the electrons across the gap between different topological bands to restore the broken time-reversal symmetry and give rise to a pronounced enhancement in the charge compressibility. Future experiments, to verify such generic thermodynamic characteristics, are proposed.

cond-mat.str-el↗

arXiv2022

Magnetic-field Induced Topological Transitions and Thermal Conductivity in a Generalized Kitaev Model

Recent experiments on Kitaev spin liquid candidate materials reported non-monotonic behavior of thermal conductivity as a function of magnetic field, which lead to conflicting interpretations of its origin. Motivated by this development, we study the magnetic field dependence of thermal conductivity of a generalized Kitaev model, which allows the phase transitions between different flux sectors as a function of the magnetic field. The thermal conductivity due to Majorana fermions shows dip-bump structures as the magnetic field increases, which is caused by either the transitions between different flux sectors of Kitaev spin liquids or the topological transitions that change the Majorana Chern number within the same flux sector. It is shown that the change of Chern number is closely related to the four-Majorana-fermion interaction induced by the magnetic field. The non-monotonic behavior in thermal conductivity emerges at finite temperature, and it becomes weaker when temperature decreases towards zero. Our model provides a generic mechanism for the Kitaev spin liquids to develop non-monotonic magnetic-field dependence of thermal conductivity while the detailed comparison to realistic materials remains an open question for future investigation.

cond-mat.str-el↗

arXiv2022

Finite-Frequency Topological Maxwell Modes in Mechanical Self-Dual Kagome Lattices

In this Letter, an elastic twisted kagome lattice at a critical twist angle, called self-dual kagome lattice, is shown to exhibit peculiar finite-frequency topological modes which emerge when certain conditions are satisfied. These states are topologically reminiscent to the zero energy (floppy) modes of Maxwell lattices but they occur at a finite frequency in the band gap of self-dual kagome lattice. Thus, we present a completely new class of topological modes which share similarities with both the zero frequency floppy modes in Maxwell lattices and the finite energy in-gap modes in topological insulators. We envision the presented mathematical and numerical framework to be invaluable for many technological advances pertaining to wave phenomenon such as reconfigurable waveguide designs.

physics.app-ph↗

arXiv2022

Massive Dirac fermions in moiré superlattices: a route towards topological flat minibands

We demonstrate a generic mechanism to realize topological flat minibands by confining massive Dirac fermions in a periodic moiré potential, which can be achieved in a heterobilayer of transition metal dichalcogenides. We show that the topological phase can be protected by the symmetry of moiré potential and survive to arbitrarily large Dirac band gap. We take the MoTe$_2$/WSe$_2$ heterobilayer as an example and find that the topological phase can be driven by a vertical electric field. By projecting the Coulomb interaction onto the topological fat minibands, we identify a correlated Chern insulator at half filling and a quantum valley-spin Hall insulator at full filling which explains the topological states observed in the MoTe$_2$/WSe$_2$ in experiment. Our work clarifies the importance of Dirac structure for the topological minibands and unveils a general strategy to design topological moiré materials.

cond-mat.mes-hall↗

arXiv2022

Dynamical properties of collective excitations in twisted bilayer Graphene

Employing the recently developed momentum-space quantum Monte Carlo scheme, we study the dynamic response of single-particle and collective excitations in realistic continuum models of twisted bilayer graphene. At charge neutrality, this unbiased numerical method reveals strong competition between different symmetry breaking channels with a leading instability towards the intervalley coherent state. Single-particle spectra indicate that repulsive interactions push the fermion spectral weight away from the Fermi energy and open up an insulating gap. The spectra of collective excitations suggest an approximate valley $SU(2)$ symmetry. At low-energy, long-lived valley waves are observed, which resemble spin waves of Heisenberg ferromagnetism. At high-energy, these sharp modes quickly become over-damped, when their energy reaches the fermion particle-hole continuum.

cond-mat.str-el↗

arXiv2021

Spontaneous fractional Chern insulators in transition metal dichalcogenides Moire superlattices

Moir{é} superlattice realized in two-dimensional heterostructures offers an exciting platform to access strongly-correlated electronic states. In this work, we study transition metal dichalcogenides (TMD) Moir{é} superlattices with time-reversal-symmetry and nontrivial spin{/valley}-Chern numbers. Utilizing realistic material parameters and the method of exact diagonalization, we find that at a certain twisting angle and fractional filling, gapped fractional topological states, i.e., fractional Chern insulators, are naturally {stabilized} by simply introducing the Coulomb repulsion. In contrast to fractional quantum Hall systems, where the time-reversal symmetry has to be broken explicitly, these fractional states break the time-reversal symmetry spontaneously. {We show that the Chern number contrasting in the opposite valleys imposes a strong constraint on the nature of fractional Chern insulator and the associated low energy excitations.} We also propose to realize the non-abelian Moore-Read state in TMD Moir{é} superlattice sandwiched between nonlinear dielectric media.

cond-mat.mes-hall↗