arXiv subjects

Kaijie Yang

Publications and source records attributed to Kaijie Yang.

At least 19 recordsLinked to original sources

arXiv2026

Topological Charge-Transfer Excitons

Excitons possess internal structure absent from single-particle Bloch particles, allowing their band topology to emerge from the bound-state structure rather than being inherited from their constituents. This raises the question of how the internal structure of a bound state can provide a microscopic origin of exciton topology. Here we show that the real-space embedding of charge-transfer excitons can generate an intrinsic manifold of symmetry-related off-site composite orbitals whose coupling supports topological exciton bands. Lateral electron-hole separation embeds the localized exciton on the bond connecting its constituent sites rather than on either site. We demonstrate this mechanism in a honeycomb lattice, where three bond-centered charge-transfer exciton orbitals form a Kagome lattice. By solving the Bethe-Salpeter equation, we show that this emergent multi-orbital manifold supports a topological exciton flat band upon time-reversal symmetry breaking, even when the electron and hole bands are topologically trivial. The resulting band exhibits nearly uniformly distributed quantum geometry, favorable for interaction-driven bosonic states. Our results establish a general route toward topological bands of localized composite bound states and unconventional strongly correlated bosonic phases.

cond-mat.mes-hall↗

arXiv2026

Electrically Programmable Correlated Topology and Magnetism in a Moiré Trilayer

Strong electron-electron interactions underlie a wide range of quantum many-body phenomena, including magnetism, superconductivity, and charge fractionalization. A central goal is to achieve in situ control over lattice geometry, bandwidth, and band topology within a single platform. Here we realize such an electrically programmable quantum many-body system in an alternating twisted trilayer MoTe$_2$, where an out-of-plane displacement field continuously modifies the layer polarization, effective lattice, and topology of the moiré bands. At zero displacement field, the system realizes a triangular lattice hosting a correlated insulator at one hole per moiré unit cell ($ν= -1$). Doping this state produces strongly asymmetric magnetic responses: double-exchange-like ferromagnetism for $|ν| > 1$, and signatures of spin polarons and antiferromagnetism for $|ν| < 1$. At large displacement field, interlayer hybridization reconstructs the electronic structure into a honeycomb lattice with a flat Chern band, supporting integer and fractional Chern insulators. Magneto-optical measurements further reveal the signatures of gap closure and Landau-level formation from a spin-polarized Fermi surface near the crossover between the two regimes. These results establish a unified, electrically tunable platform in which correlated magnetism and topological states emerge from a single controllable band structure.

cond-mat.mes-hall↗

arXiv2026

Switching Chern number by sliding and gating in alternately twisted tetralayer MoTe2

Switching the bulk Chern number in topological materials is of central importance for the design of topological electronic devices. Motivated by recent observations of integer and fractional quantum anomalous Hall effects in twisted transition metal dichalcogenides (tTMDs), we realize the switching of valley Chern number through sliding and gating in alternately twisted tetralayer (ATT) MoTe$_{2}$. Using large-scale density functional theory (DFT) calculations, we show that the Chern number of the first $K$-valley moiré band evolves from $+1$ to $-1$ under the interlayer sliding. Furthermore, an applied electric field can switch the valley Chern number from $-1$ to $+1$. Based on the developed continuum model, we reveal that these switching behaviors are caused by the sliding- and gate-dependent intralayer moiré potential distributions across the layers. Our results establish ATT MoTe$_{2}$ as a promising platform for engineering moiré band topologies through the design of moiré potentials with sliding in multilayer moiré systems.

cond-mat.mtrl-sci↗

arXiv2026

Nonadiabatic Theory of Phonon Magnetic Moments in Insulators and Metals

We develop a nonadiabatic theory of phonon magnetic moments applicable to both insulators and metals. By relating the phonon magnetic moment to the force-velocity response of ions in a magnetic field, we derive a gauge-invariant expression using a gauge-covariant Wigner expansion. The formalism naturally separates Fermi-sea and Fermi-surface contributions and captures the full dependence on phonon frequency. In gapped systems, our theory reduces to previous adiabatic expressions in the low-frequency limit. Beyond this limit, it reveals additional contributions arising from resonant interband processes and the Fermi surface. Applying our theory to Pb$_{1-x}$Sn$_x$Te, we find that the Fermi-surface contribution substantially enhances the phonon magnetic moment, reproducing the same order of magnitude as the experimental observation. Our results provide a unified framework for describing phonon magnetic moments beyond the adiabatic regime.

cond-mat.mes-hall↗

arXiv2026

Quantum Geometric Quadrupole of Cooper Pairs

The size of Cooper pairs defines a fundamental length scale of superconductivity, conventionally set by band dispersion and the superconducting gap. This picture breaks down in flat bands, where quenched dispersion makes quantum geometry essential. Here we develop a general framework based on the Cooper pair quadrupole moment, whose trace gives the pair size. The framework holds for both dispersive and flat-band cases, and provides a unified description of the geometric origin of this length scale. In particular, when time-reversal symmetry is broken, Berry curvature enters through the phase structure of the pair wavefunction and gives an essential contribution absent from previous quantum-metric theories. Together, Berry curvature and quantum metric impose a geometric lower bound on the pair size. Applying this framework to rhombohedral graphene, we find that the Berry-curvature-induced contribution can dominate and yields pair sizes comparable to experimentally inferred coherence lengths. These results identify Berry curvature as a central geometric ingredient controlling the microscopic length scale of superconductivity.

cond-mat.supr-con↗

arXiv2026

Giant and Helical Exciton Dipole from Berry Curvature in Flat Chern Bands

We show that excitons forming between moiré flat Chern bands possess a substantial electric dipole moment comparable to the moiré lattice parameter times the elementary charge ($\sim10^2$ Debye). At a hole filling factor of one in twisted MoTe$_2$, the dipole moment of the lowest-energy exciton branch develops in-plane helical texture in momentum space from the intrinsic Berry curvature of electron and hole. By solving the Bethe-Salpeter equations, we demonstrate that an out-of-plane displacement field induces a Frenkel-to-Wannier exciton transition, accompanied by a reversal of the dipole texture helicity. The resulting attractive exciton dipole-dipole interactions lead to quadrupolar biexcitons that can be probed via two-photon spectroscopy. Our findings establish band topology as a tunable knob to engineer exciton dipole moments and pave the way to manipulate many-body interactions in the terahertz regime.

cond-mat.mes-hall↗

arXiv2026

Ideal Topological Flat Bands in Two-dimensional Moiré Heterostructures with Type-II Band Alignment

Topological flat bands play an essential role in inducing exotic interacting physics, ranging from fractional Chern insulators to superconductivity, in moiré materials. In this work, we propose a design principle for realizing topological flat bands with "ideal quantum geometry", namely the trace of Fubini-Study metric equals to the Berry curvature, in a class of two-dimensional moiré heterostructures with type-II band alignment. We first introduce a moiré Chern-band model to describe this system and show that topological flat bands can be realized in this model when the moiré superlattice potential is stronger than the type-II atomic band gap of the heterostructure. Next, we map this model into a topological heavy fermion model that consists of a localized orbital for "f-electron" and a conducting band for "c-electron". We find that both the flatness and quantum geometry of the flat band in the topological heavy fermion model depend on the energy gap between c-electron and f-electron bands at $Γ$ which is experimentally controllable via external gate voltages. This tunability will allow us to realize an ideal topological flat band with zero band-width and ideal quantum geometry. Our design strategy of topological flat bands is insensitive of twist angle. We also discuss possible material candidates for moiré heterostructures with type-II band alignment.

cond-mat.mes-hall↗

arXiv2025

Layerwise Stratification and Band Reordering in Twisted Multilayer MoTe$_2$

We introduce a generalizable, physics informed strategy for generating training data that enables a machine learning force field accurate over a broad range of twist angles and stacking layer numbers in moire systems. Applying this to multilayer twisted MoTe2 (tMoTe2), we identify a structural and electronic stratification: the two moire interface (MI) layers retain substantial lattice reconstruction even in thick multilayers, while outer bulk like layers show rapidly attenuated distortions.Surprisingly, this stratification becomes strongest not in the ultra-small twist angle regime (<~1°), where in plane domain formation is well known, but rather at intermediate angles (2-5°). Simultaneously, interlayer hybridization across the MI-bulk boundary is strongly suppressed, leading to electronic isolation. In twisted double bilayer MoTe2, this stratification gives rise to coexisting honeycomb and triangular lattice motifs in the frontier valence bands. We further demonstrate that twist angle and weak gating can create energy shift of bands belonging to the two motifs, producing Chern band reordering and nonlinear electric polarization with modest hole doping. Our approach allows efficient simulation of multilayer moire systems and reveals structural-electronic separation phenomena absent in bilayer systems.

cond-mat.mtrl-sci↗

arXiv2025

Symmetry-enforced Moiré Topology

Topological flat bands in two-dimensional (2D) moiré materials have emerged as promising platforms for exploring the interplay between topology and correlation effects. However, realistic calculations of moiré band topology using density functional theory (DFT) are computationally inefficient due to the large number of atoms in a single moiré unit cell. In this work, we propose a systematic scheme to predict the topology of moiré bands from atomic symmetry data and moiré symmetry group, both of which can be efficiently extracted from DFT. Specifically, for $Γ$-valley electron gases, we find that certain combinations of atomic symmetry data and moiré symmetry groups can enforce nontrivial band topology in the low-energy moiré bands, as long as the moiré band gap is smaller than the atomic band splitting at the moiré Brillouin zone boundary. This symmetry-enforced nontrivial moiré topology, including both topological insulators and topological semimetals, is robust against various material-specific details such as the precise form and strength of the moiré potential or the exact twist angle. By exhaustively scanning all 2D atomic symmetry data and moiré symmetry groups, we identify 197 combinations that can yield symmetry-enforced nontrivial moiré topology, and we verify one such combination using a moiré model with cubic Rashba spin-orbit coupling. By screening the existing 2D material database, we currently identify 92 monolayer materials with (i) the low-energy bands near $Γ$ and (ii) the atomic symmetry data that belong to those combinations. Our approach is generalizable to other valleys and provides a useful guideline for experimental efforts to discover and design new topologically nontrivial moiré materials.

cond-mat.mes-hall↗

arXiv2025

Orbital Hybridization-Induced Ising-Type Superconductivity in a Confined Gallium Layer

In low-dimensional superconductors, the interplay between quantum confinement and interfacial hybridization effects can reshape Cooper pair wavefunctions and induce novel forms of unconventional superconductivity. In this work, we employ a plasma-free, carbon buffer layer-assisted confinement epitaxy method to synthesize trilayer gallium (Ga) sandwiched between a graphene layer and a 6H-SiC(0001) substrate, forming an air-stable graphene/trilayer Ga/SiC heterostructure. In this confined light-element Ga layer, we demonstrate interfacial Ising-type superconductivity driven by atomic orbital hybridization between the Ga layer and the SiC substrate. Electrical transport measurements reveal that the in-plane upper critical magnetic field u0Hc2,|| reaches ~21.98T at T=400 mK, approximately 3.38 times the Pauli paramagnetic limit (~6.51T). Angle-resolved photoemission spectroscopy (ARPES) measurements combined with theoretical calculations confirm the presence of split Fermi surfaces with Ising-type spin textures at the K and K' valleys of the confined Ga layer strongly hybridized with SiC. Moreover, by incorporating finite relaxation time induced by impurity scattering into an Ising-type superconductivity model, we reproduce the entire temperature-dependent u0Hc2,|| phase diagram. This work establishes a new strategy to realize unconventional pairing wavefunctions by combining quantum confinement and interfacial hybridization effects in superconducting thin films. It also opens new avenues for designing scalable superconducting quantum electronic and spintronic devices through interfacial engineering.

cond-mat.mes-hall↗

arXiv2025

Interlayer Coupling-Induced Quantum Phase Transition in Quantum Anomalous Hall Multilayers

A quantum phase transition arises from competition between different ground states and is typically accessed by varying a single physical parameter near absolute zero temperature. The quantum anomalous Hall (QAH) effect with high Chern number C has recently been achieved in magnetic topological insulator (TI) multilayers. In this work, we employ molecular beam epitaxy to synthesize a series of magnetic TI penta-layers by varying the thickness of the middle magnetic TI layer, designated as m quintuple layers. Electrical transport measurements demonstrate a quantum phase transition between C = 1 and C = 2 QAH states. For m 1 and m 2, the sample exhibits the well-quantized C = 1 and C = 2 QAH states, respectively. For 1 m 2, we observe a monotonic decrease in Hall resistance from h/e2 to h/2e2 with increasing m, accompanied by a peak in the longitudinal resistance. The quantum phase transition between C = 1 and C = 2 QAH states is attributed to the weakening of the interlayer coupling between the top and the bottom C = 1 QAH layers. Our findings provide a scalable strategy for engineering QAH devices with a tunable Chern number. This approach enables precise control and enhanced functionality in chiral edge current-based electronic devices.

cond-mat.mes-hall↗

arXiv2025

Twist-angle transferable continuum model and second flat Chern band in twisted MoTe2 and WSe2

We develop a twist-angle transferable continuum model for twisted transition metal dichalcogenide (tTMD) homobilayers, using tMoTe2 and tWSe2 as examples. All model parameters are extracted from density functional theory (DFT) calculations at a single twist angle (3.89°) and monolayer data. Our model captures both lattice relaxation effects and the long-range behavior of piezoelectric and ferroelectric potentials. Leveraging lattice relaxations obtained via machine learning force fields (MLFFs), the model can be efficiently transferred to other twist angles without requiring additional DFT calculations. It accurately reproduces the DFT band dispersions and quantum geometries across a wide range of twist angles. Furthermore, our model reveals that a second flat Chern band arises near 2° when the interlayer potential difference becomes comparable to the interlayer tunneling. This continuum model provides a clear understanding and starting point for engineering novel electronic phases in moiré TMDs through twist angles and lattice relaxations.

cond-mat.mtrl-sci↗

arXiv2025

Magnetoelectric Control of Helical Light Emission in a Moiré Chern Magnet

Magnetoelectric effects and their coupling to light helicity are important for both fundamental science and applications in sensing, communication, and data storage. Traditional approaches require complex device architectures, involving separate spin-injection, ferromagnetic, and optically active layers. Recently, the emergence of 2D semiconductor moiré superlattices with flat Chern bands and strong light-matter interactions has established a simple yet powerful platform for exploring the coupling between photon, electron, and spin degrees of freedom. Here, we report efficient current control of spontaneous ferromagnetism and associated helicity of light emission in moiré MoTe2 bilayer - a system which hosts a rich variety of topological phases, including newly discovered zero-field fractional Chern insulators. We show that the current control is effective over a wide range of doping of the first moiré Chern band, implying the uniformity of the Berry curvature distribution over the flat band. By setting the system into the anomalous Hall metal phase, a current as small as 10nA is sufficient to switch the magnetic order, a substantial improvement over both conventional spin torque architectures and other moiré systems. The realized current control of ferromagnetism leads to continuous tuning of trion photoluminescence helicity from left to right circular via spin/valley Hall torque at zero magnetic field. Our results pave the way for topological opto-spintronics based on semiconductors with synthetic flat Chern bands.

cond-mat.mes-hall↗

arXiv2024

Large-Area Intercalated 2D-Pb/Graphene Heterostructure as a Platform for Generating Spin-Orbit Torque

A scalable platform to synthesize ultrathin heavy metals may enable high efficiency charge-to-spin conversion for next-generation spintronics. Here we report the synthesis of air-stable, epitaxially registered monolayer Pb underneath bilayer graphene on SiC (0001) by confinement heteroepitaxy (CHet). Diffraction, spectroscopy, and microscopy reveal CHet-based Pb intercalation predominantly exhibits a mottled hexagonal superstructure due to an ordered network of Frenkel-Kontorova-like domain walls. The system's air stability enables ex-situ spin torque ferromagnetic resonance (ST-FMR) measurements that demonstrate charge-to-spin conversion in graphene/Pb/ferromagnet heterostructures with a 1.5x increase in the effective field ratio compared to control samples.

cond-mat.mtrl-sci↗

arXiv2024

Engineering Miniband Topology via Band-Folding in Moiré Superlattice Materials

The emergence of topologically non-trivial flat bands in moiré materials provides an opportunity to explore the interplay between topological physics and correlation effects, leading to the recent experimental realization of interacting topological phases, e.g. fractional Chern insulators. In this work, we propose a mechanism of band inversion induced by band-folding from the moiré superlattice potential for engineering topological minibands in moiré materials. We illustrate this mechanism via two classes of model Hamiltonians, namely the Rashba model and the Bernevig-Hughes-Zhang (BHZ) model, under the moiré superlattice potentials. Moiré minibands with non-trivial band topology, including Z2 number, mirror Chern number and fragile topology, have been found and the topological phase diagram is constructed for these moiré models. A general theory based on band representations in the morié Brillouin zone is also developed for a generalization of this mechanism to other space groups. Possible experimental realizations of our model Hamiltonian are discussed.

cond-mat.mes-hall↗

arXiv2024

Rashba spin splitting-induced topological Hall effect in a Dirac semimetal-ferromagnetic semiconductor heterostructure

We use a concerted theory-experiment effort to investigate the formation of chiral real space spin texture when the archetypal Dirac semimetal Cd$_3$As$_2$ is interfaced with In$_{1-x}$Mn$_x$As, a ferromagnetic semiconductor with perpendicular magnetic anisotropy. Our calculations reveal a nonzero off-diagonal spin susceptibility in the Cd$_3$As$_2$ layer due to the Rashba spin-orbit coupling from broken inversion symmetry. This implies the presence of a Dzyaloshinskii-Moriya interaction between local moments in the In$_{1-x}$Mn$_x$As layer, mediated by Dirac electrons in the vicinal Cd$_3$As$_2$ layer, potentially creating the conditions for a real space chiral spin texture. Using electrical magnetoresistance measurements at low temperature, we observe an emergent excess contribution to the transverse magneto-resistance whose behavior is consistent with a topological Hall effect arising from the formation of an interfacial chiral spin texture. This excess Hall voltage varies with gate voltage, indicating a promising electrostatically-tunable platform for understanding the interplay between the helical momentum space states of a Dirac semimetal and chiral real space spin textures in a ferromagnet.

cond-mat.mes-hall↗

arXiv2024

ProAgent: Building Proactive Cooperative Agents with Large Language Models

Building agents with adaptive behavior in cooperative tasks stands as a paramount goal in the realm of multi-agent systems. Current approaches to developing cooperative agents rely primarily on learning-based methods, whose policy generalization depends heavily on the diversity of teammates they interact with during the training phase. Such reliance, however, constrains the agents' capacity for strategic adaptation when cooperating with unfamiliar teammates, which becomes a significant challenge in zero-shot coordination scenarios. To address this challenge, we propose ProAgent, a novel framework that harnesses large language models (LLMs) to create proactive agents capable of dynamically adapting their behavior to enhance cooperation with teammates. ProAgent can analyze the present state, and infer the intentions of teammates from observations. It then updates its beliefs in alignment with the teammates' subsequent actual behaviors. Moreover, ProAgent exhibits a high degree of modularity and interpretability, making it easily integrated into various of coordination scenarios. Experimental evaluations conducted within the Overcooked-AI environment unveil the remarkable performance superiority of ProAgent, outperforming five methods based on self-play and population-based training when cooperating with AI agents. Furthermore, in partnered with human proxy models, its performance exhibits an average improvement exceeding 10% compared to the current state-of-the-art method. For more information about our project, please visit~\url{https://pku-proagent.github.io}.

cs.AI↗

arXiv2023

Towards a Topological Classification of Nonadiabaticity in Chemical Reactions

The application of topology, a branch of mathematics, to the study of electronic states in crystalline materials has had a revolutionary impact on the field of condensed matter physics. For example, the development of topological band theory has delivered new approaches and tools to characterize the electronic structure of materials, resulting in the discovery of new phases of matter with exotic properties. In the framework of topological band theory, the crossings between energy levels of electrons are characterized by topological invariants, which predict the presence of topological boundary states. Given the frequency of energy level crossings on the potential energy surface in molecules, the applicability of these concepts to molecular systems could be of great interest for our understanding of reaction dynamics. However, challenges arise due to differing quantum mechanical descriptions of solids and molecules. Out work aims to bridge the gap between topological band theory and molecular chemistry. We propose that the Euler Class, a topological invariant, can be used to categorize and analyse the distribution of nonadiabatic couplings on the potential energy surface. To exemplify this connection, we introduce a model system with two distinct regimes that are characterized by different values of the Euler Class, yet identical potential energy surfaces. Contrary to expectations set by the Born-Oppenheimer approximation, we propose that these two regimes don't exhibit identical dynamics, due to a qualitatively distinct distribution of nonadiabatic couplings.

cond-mat.mtrl-sci↗