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Yugui Yao

Publications and source records attributed to Yugui Yao.

At least 37 records · Page 2Linked to original sources

Topological Interstitial-Electron Conductor

Electron transport in solids arises primarily from two mechanisms: freely moving bulk electrons in metals, and gapless boundary states in topological insulators. Here, we report a new mechanism discovered in electrides. The topological interstitial-electron conductors (TIECs) proposed here are insulating electrides, but host interstitial electrons (IEs) distributed within crystal voids that traverse the entire unit cell. Without being tightly bound to real ions, the IEs generally experience low periodic potential barrier along the void channels. As a consequence, by applying a weak electric field sufficient to overcome the IE barriers but far below the system's dielectric breakdown threshold, one can expect that the TIECs would generate a persistent current contributed by the IEs and propagating along the void channels. We identify a family of realistic altermagnetic electrides, $A_5X_3$ ($A$ = Ca, Sr, Ba, Yb; $X$ = As, Sb), as TIECs. Remarkably, for $A_5X_3$ materials, the periodic potential barrier of the IEs along the void channels are ultralow, ranging from 13.43 to 67.96 meV per formula unit. This renders our proposal readily accessible to experimental verification. We further demonstrate that when the IEs of $A_5X_3$ undergo periodic motion along the channels, topological surface states will emerge at the boundary perpendicular to the channel direction, and continuously move across the bulk band gap. This pumping-like behaviour not only corroborates the topological nature of TIECs, but also rationalizes the finite-electric-field induced electronic transport within the band theory. Our findings expand the classification of electronic conductors, uncover unexplored transport properties of electrides, and establish a new material platform for low-power electronic devices.

cond-mat.mtrl-sci↗

Charge density wave in a band insulator

Charge density wave (CDW) implies a periodic modulation of the charge density. Typically observed in metallic systems, CDWs arise from Fermi surface instabilities, resulting in the total or partial gapping of the Fermi surface. Here, we present experimental evidence for a CDW state emerging in a band insulator which has no Fermi surface. The bulk and surface of our material platform, Bi4Br4, is gapped over the entire Brillouin zone. Through topographic and spectroscopic imaging at low temperatures, we unveil an unexpected unidirectional charge modulation in Bi4Br4, breaking the lattice translation symmetry. The CDW develops at temperatures below 40 K and adds an energy gap atop the existing insulating gap of Bi4Br4. Furthermore, our transport measurements reveal nonlinear electrical conduction, a phenomenon conventionally associated with the sliding or phason mode of incommensurate CDWs. These highly unusual observations represent a new type of CDW and demand a new theoretical framework for CDWs.

cond-mat.str-el↗

Unconventional Magnetism: Symmetry Classification, Hybrid-parity and Unconstrained-parity Classes

Unconventional magnetism has emerged as a transformative frontier in condensed matter physics. Such phases are characterized by substantial non-relativistic spin splitting (NSS) in symmetry-compensated magnets. They have been classified by the parity of their spin textures under momentum inversion, leading to the paradigms of altermagnets (even-parity) and odd-parity magnets. However, the full symmetry landscape remains largely unexplored. In this Letter, we present a systematic classification framework for unconventional magnetism based on the representation theory of the spin textures and the associated parity properties. Within this framework, we predict two previously unidentified classes beyond the established pure-parity categories: hybrid-parity magnets (HPMs) and unconstrained-parity magnets (UPMs), where the spin textures exhibit contrasting parities among their Cartesian components and the parity of the spin textures is ill-defined, respectively. We derive universal symmetry criteria that categorize HPMs into three distinct types. Importantly, by combining the spin splitting characteristics of altermagnets and odd-parity magnets, HPMs can enable the coexistence of the spin current and Edelstein effects. Taking FePO4 as an example, we perform first-principles calculations to demonstrate this coexistence. Finally, we discuss the potential applications of HPMs in spintronic devices. Our work provides a comprehensive symmetry classification of unconventional magnetism and establishes HPMs as a promising platform for multi-functional spintronics.

cond-mat.mtrl-sci↗

Equivariant Space Group and Hamiltonian for Collinear Magnetic Systems

Condensed matter physics increasingly focuses on exploiting the magnetic order parameter orientation n as a tuning knob for properties of collinear magnetic materials, but a general method for constructing effective Hamiltonians with explicit n-dependence has been lacking. Here, we develop a symmetry-based framework, built on the equivariant space group, for constructing such Hamiltonians, termed equivariant magnetic Hamiltonians (EMHs). The resulting EMH lives in a higher-dimensional k-n space and exhibits unconventional symmetry actions and topological features. Using a 1D ferromagnetic chain and a 3D antiferromagnet as examples, we demonstrate that explicit n-dependence in EMHs enables the study of magnetic-dynamics-driven topological pumping, including even-integer charge pumping and a second-Chern-number-induced quantized pumping of surface anomalous Hall conductivity. Beyond model systems, we incorporate the framework into first-principles calculations to construct ab-initio EMHs that accurately capture the n-dependent band structures of real materials. The approach can also be generalized to non-collinear magnetic systems. Our work establishes a general framework for constructing EMHs and for exploring the rich physics arising from magnetic anisotropy and magnetic dynamics.

cond-mat.mtrl-sci↗

Nonlinear Hall quantum oscillations to probe topological Brown-Zak fermions in graphene moiré systems

Due to the deep connection with the quantum geometry of electronic Bloch wavefunctions, the second-order nonlinear Hall effect (NLHE) has been an attractive topic since its proposal. However, studies on NLHE under a magnetic field have been lacking. Given that quantum oscillations in the linear response regime have been proven to be useful tools in investigating electronic systems, searching for quantum oscillations in NLHE is of great interest and is expected to provide new avenues to unveil rich quantum geometric properties of novel quasiparticles. Here, we propose a new type of NLHE quantum oscillations and experimentally probe it in graphene moiré systems. It stems from the alternation of the dominant NLHE mechanisms with recurring Bloch states under magnetic field, which enables sensitive detection of Brown-Zak fermions, giving an onset field as low as 0.5 T. Most importantly, when the commensurability condition is satisfied, the nonlinear transport of Brown-Zak fermions is mainly governed by quantum geometric contributions. Our findings not only establish a new type of quantum oscillations, but also demonstrate the first experimental detection of the topological nature of Brown-Zak fermions, shedding light on the exploration of novel topological quasiparticles.

cond-mat.mes-hall↗

Theory of quantum decoherence in macroscopic topological insulators

Quantum decoherence-the loss of quantum coherence due to interactions with an environment-plays a central role in quantum transport, and controlling this ubiquitous yet inevitable phenomenon is essential for practical quantum technologies. Despite its importance, the microscopic mechanisms of decoherence in infinite-size topological insulators remain poorly understood. Here, we develop a comprehensive theory that quantitatively investigates how quantum decoherence shapes the quantum spin Hall effect in macroscopic topological insulators, and reveal that decoherence-induced corrections scale quadratically with impurity density. Besides, we uncover a previously unidentified mechanism of the extrinsic spin Hall effect: a second-order skew-scattering process intrinsically tied to quantum decoherence-fundamentally distinct from, yet substantially stronger than, the conventional third-order skew-scattering mechanism. Furthermore, we predict a new scaling law in which the decoherence-induced spin Hall conductivity scales quadratically with the longitudinal conductivity, providing a clear experimental signature of decoherence effects. Our results establish the essential role of decoherence in quantum transport of topological insulators and reveal that macroscopic topological insulators offer a promising platform for next-generation spintronic applications.

cond-mat.mes-hall↗

Metalization of topological insulators

In modern condensed matter theory, phases of electronic matter--such as metals and insulators-are fundamentally distinguished by the presence or absence of charge-carrying quasiparticles or excitations near the Fermi surface at low temperatures. Here, we show that this criterion breaks down in Berry-curvature-dominated systems, where transport is governed by interband coherence across the entire Fermi sea. We develop a microscopic theory of quantum transport in bulk topological insulators with a vanishing density of states at the Fermi energy, for which the conventional Drude contribution is absent. We demonstrate that impurity-scattering-induced coherence decay generates a distinct longitudinal transport channel even in the topologically trivial regime, with edge contributions rigorously excluded. This mechanism yields a finite longitudinal conductivity even in the absence of carriers at the Fermi level and exhibits an unconventional scaling linear in impurity density in the dilute limit, in stark contrast to Drude behaviour. Importantly, this decoherence-induced conductance is inversely proportional to temperature, reminiscent of strange-metal behaviour, most prominently observed in cuprate superconductors above their critical temperature. Our findings reveal quantum decoherence as a fundamental origin of longitudinal transport beyond the Drude paradigm, challenging the traditional distinction between metals and insulators.

cond-mat.mes-hall↗

Atomic-scale visualization of d-wave altermagnetism

Altermagnetism is a newly identified magnetic phase, distinct from conventional ferromagnetism and antiferromagnetism. It exhibits no net magnetization while breaking time-reversal symmetry. Although its momentum-space signatures are established, direct real-space visualization of its defining rotational-symmetry breaking remains missing. Here, using scanning tunnelling microscopy, we provide atomic-scale real-space evidence for altermagnetism in CsV2Se2O. Utilizing intrinsic spin defects as probes, we directly visualize the hallmark symmetry breaking through unidirectional electronic patterns and elliptical charging rings, both tied to the alternating spin texture. Moreover, adjacent spin-defect lines exhibit opposite spins and long-range antiferromagnetic coupling, hinting at a novel spin order. Our work moves the field from momentum-space probes to direct real-space visualization, opening a path to explore how this unconventional magnetic order couples to other quantum states.

cond-mat.mtrl-sci↗

Magnetoresistance from decoherence

Microscopic theories of magnetoresistance have traditionally focused on momentum relaxation and the plasma frequency of itinerant electrons. Here, we uncover a distinct mechanism in which magnetoresistance originates from quantum decoherence throughout the whole Fermi sea, specifically the decay of the off-diagonal components of the density matrix. The resulting conductivity, parameterized by two complex decoherence times, scales linearly with impurity density-markedly contrasting the conventional Drude picture, where conductivity is governed by momentum relaxation of Ferm-surface quasiparticles and is inversely proportional to impurity density. This unconventional scaling provides a direct electrical probe of quantum decoherence, a quantity central to both fundamental studies and emerging nanoscale technologies. Furthermore, the interplay between the external magnetic field and the exchange field gives rise to rich magnetotransport phenomena, including temperature-drive crossover from positive to negative magnetoresistance and a nonmonotonic temperature dependence with a conductivity maximum reminiscent of the Kondo effect. Our results establish quantum decoherence as a key ingredient in magnetoresistance and our findings should have an unprecedented impact on advancing research and applications involving magnetoresistance.

cond-mat.mes-hall↗

Extreme Terahertz Nonlinear Phononics by Coherence-Imprinted Control of Hybrid Order

Coherent control of quantum materials has progressed along two major fronts: nonlinear phononics, which reshapes lattices to induce emergent states, and Floquet engineering, which tailors electronic band reconstruction via time-periodic driving. Both mechanisms face fundamental limitations at terahertz (THz) frequencies: phononic nonlinearities are intrinsically weak in standard lattices, while electronic Floquet states are often constrained by rapid decoherence upon light-off and by a scarcity of coherence-resolved, multi-correlation probes beyond (quasi-)stationary band structures. Here we report an extreme THz nonlinear-phononics mechanism in $\text{Ta}_\text{2}\text{NiSe}_\text{5}$, where a highly susceptible non-equilibrium electronic correlation bath dramatically amplifies lattice nonlinearities under coherent driving. Utilizing THz two-dimensional spectroscopy as a coherence-tomography tool, we resolve an exceptionally rich landscape of approximately 30 distinct multi-order quantum pathways, including high-harmonic phonon generation, multi-quantum coherences, and multi-wave anharmonic cross-mode mixing. The density and complexity of this extreme manifold establishes a new benchmark for THz nonlinear phononics, as the multi-order quantum pathways surpass the limits of conventional lattice responses. These high-order signals collapse above ~100~K, defining an electronic correlation scale of a coherence-imprinted hybrid electronic-phonon order that governs the sustainability of high-order quantum correlations and nonlinear pathways beyond linear and equilibrium responses. Our results establish a route for correlation-boosted, phonon-anchored periodic Hamiltonian engineering and for certifying such periodically-driven states via multi-correlation coherence tomography.

cond-mat.str-el↗

Type-I and Type-II Saddle Points and a Topological Flat Band in a Bi-Pyrochlore Superconductor CsBi2

The divergence of the electron density of states (DOS) plays an important role in enhancing many-body interactions and inducing various quantum phases in low-dimensional systems. However, such unique electronic structures remain experimentally elusive in three-dimensional (3D) systems, particularly those with strong spin-orbit coupling (SOC). Using angle-resolved photoemission spectroscopy and first-principles calculations for a Laves-phase superconductor CsBi$_2$, which features a Bi-pyrochlore 3D network with strong SOC, we identify two characteristic electronic structures with a large DOS. One is a dispersionless topological flat band with p-orbital character, locally formed around the U-K line, which enhances DOS near the Fermi level. The other involves type-I and type-II saddle points connected by a flat band, which cooperatively produce an enhancement in the DOS. Our findings suggest a novel mechanism for achieving a DOS enhancement and lay a foundation for exploring exotic phenomena driven by the interplay of multiple singularities with a large DOS, nontrivial topology, and strong SOC in 3D pyrochlores.

cond-mat.mes-hall↗

Two-Dimensional Spin-Antiferroelectric Altermagnets with Giant Spin Splitting: From Model to Material Realization

The realization of multiferroic altermagnets featuring giant intrinsic spin splitting, hold great promise for next-generation spintronics. In this work, based on the recently proposed concept of spin-antiferroelectric (spin-AFE), we construct a class of two-dimensional (2D) multiferroic altermagnets, termed 2D spin-antiferroelectric altermagnets (2D spin-AFEAMs), enabling electrical control of spin polarization via a gate field. Furthermore, we propose a general design strategy for constructing 2D spin-AFEAMs with large intrinsic spin splitting. Guided by this strategy, we predict monolayer $(\mathrm{CoCl})_2\mathrm{Te}$ and its family materials as potential candidates of 2D spin-AFEAM. We uncover a highly tunable transport regime in monolayer $(\mathrm{CoCl})_2\mathrm{Te}$, where the spin current can be switched via the in-plane electric field angle when hole-doped, and via the gate field polarity when electron-doped. Our work enriches the family of 2D multiferroics and provides a blueprint for realizing high-performance, electrically switchable altermagnetic spintronic devices.

cond-mat.mtrl-sci↗

Pressure-Induced Superconducting-like Transition in the $\it d$-wave Altermagnet Candidate CsV$_2$Se$_2$O

Altermagnetism generates exchange-type spin splitting without net magnetization and, in its $\it d$-wave form, resembles the angular symmetry of unconventional $\it d$-wave superconductivity. Whether this correspondence bears directly on superconducting instabilities in real correlated materials remains open. Here we study the quasi-two-dimensional vanadium oxychalcogenide CsV$_2$Se$_2$O (CVSO), a square-net $\it d$-wave altermagnet candidate, through combined experimental and theoretical investigation of its lattice structure, electronic structure and transport properties. At ambient pressure, CVSO is a weakly insulating parent state with a density-wave-like anomaly near 100 K, and its bulk properties are most consistent with a G-type compensated antiferromagnetic background. Under compression, the density-wave-like feature is suppressed, the magnetoresistance evolves from predominantly negative to positive, and a superconducting-like resistive downturn emerges below about 3 K. This low-temperature anomaly is reproducible across samples and pressure media, and is suppressed by magnetic field. Room-temperature X-ray diffraction reveals no symmetry lowering, whereas does show a pronounced compressibility anomaly over the same pressure range. CVSO thus reveals a pressure-tuned phase diagram in which a reconstructed weakly insulating parent state gives way to strange-metal-like transport and superconducting-like behavior, echoing broader phenomenology associated with unconventional superconductors, including cuprates and nickelates.

cond-mat.supr-con↗

Anomalous acoustic plasmons in two-dimensional over-tilted Dirac bands

The over-tilting of Dirac cones has led to various fascinating quantum phenomena. Here we find that two anomalous acoustic plasmons (AAPs) are dictated by the distinct geometry of two-dimensional (2D) type-II Dirac cones, far beyond the conventional $\sqrt{q}$ plasmon. One AAP originates from the strong hybridization of two pockets with large velocity anisotropy at one Dirac point, whereas the other is attributed to the significant enhancement of the band correlation around the open Fermi surface. Remarkably, the plasmons exhibit valley-dependent chirality along the tilting direction due to the chiral electron dispersion. Meanwhile, we discuss the tunability of plasmon dispersion and lifetime by tuning the gap and dielectric substrate. Our work provides a promising way to generate the novel plasmons in Dirac materials.

cond-mat.mes-hall↗

Theory of quantum decoherence and its application to anomalous Hall effect

Coherent quantum phenomena can only emerge when decoherence is minimized, and mastery over decoherence is technologically crucial for designing and operating functional quantum devices. However, its microscopic mechanisms in spin-orbit-coupled ferromagnets remain elusive, and quantitative treatments have long been challenging. To solve this fundamentally significant and technologically crucial problem, we develop a quantum master-equation framework with a general ansatz for the off-diagonal density matrix that simultaneously captures electric-field-driven coherence and impurity-scattering-induced decoherence. This unified approach enables quantitative analysis of how decoherence reshapes the intrinsic anomalous Hall effect, revealing a clear crossover between intrinsic and extrinsic regimes. Remarkably, we identify a previously unrecognized extrinsic contribution: a second-order scattering process tightly relative to quantum decoherence-that is fundamentally distinct from both skew scattering and side jump mechanisms, yet substantially more significant than the skew scattering mechanism. Our work establishes decoherence as a key element in quantum transport and provides a systematic extension of the Boltzmann transport equation to incorporate decoherence, with broad implications for robust spintronic functionality.

cond-mat.mes-hall↗

Type-II Antiferroelectricity

Antiferroelectricity (AFE) is a fundamental concept in physics and materials science. Conventional AFEs have the picture of alternating local electric dipoles defined in real space. Here, we discover a new class of AFEs, termed type-II AFEs, which possess opposite polarizations defined in momentum space across a pair of symmetry decoupled subspaces. Unlike conventional AFEs, the order parameter of type-II AFEs is rigorously formulated through Berry-phase theory and can be quantitatively extracted from the electronic band structure. Focusing on a subclass of type-II AFEs that preserve spin-rotation symmetry, we establish the relevant symmetry constraints and identify all compatible spin point groups. Remarkably, we find that type-II AFE order intrinsically coexists with antiferromagnetism, revealing a robust form of magnetoelectric coupling. We construct an altermagnetic model and identify several concrete antiferromagnetic/altermagnetic materials, such as FeS, Cr2O3, MgMnO3, monolayer MoICl2 and bilayer CrI3, that exhibit this novel ordering. Furthermore, we uncover unique physical phenomena associated with type-II spin-AFE systems, including spin current generation upon AFE switching and localized spin polarization at boundaries and domain walls. Our findings reveal a previously hidden class of quantum materials with intertwined ferroic orders, offering exciting opportunities for both fundamental exploration and technological applications.

cond-mat.mtrl-sci↗

Discovery of a hybridization-wave electronic order in a van der Waals Kondo lattice

Kondo lattice systems, in which localized magnetic moments coherently hybridize with itinerant electrons, exhibit a rich landscape of emergent quantum phenomena. Within this framework, the hybridization strength itself has been theoretically proposed as a spatially modulated order parameter, giving rise to a so-called hybridization wave. However, direct experimental evidence of this quantum state has remained an outstanding challenge. Here, we report the direct observation of a hybridization wave in the layered transition metal dichalcogenide 6R-TaS2, a naturally occurring heterostructure composed of alternating 1T- and 1H-TaS2 layers. Using scanning tunneling microscopy and spectroscopy (STM/STS), we identify the hybridization gap in 1T layer, demonstrating the establishment of a coherent Kondo lattice. Notably, we discover that the hybridization gap present a uniaxial unit-cell doubling modulation, which breaks the both translational and rotational symmetries of the underlying Star-of-David superlattice. Such unit-cell doubling is not caused by structural topography, and therefore, constitutes the real-space visualization of the hybridization-wave order. Furthermore, the hybridization wave correlates with an energy-dependent nematic order that shares the same periodicity and orientation, revealing intertwined electronic instabilities. Our findings not only validate a long-standing prediction but also establish layer-engineered van der Waals materials as a versatile platform for exploring and controlling hybridization-driven quantum phases.

cond-mat.str-el↗

Interlayer Charge-density-wave Vector Phase Induced Structural Chirality

Chiral charge density waves (CDWs) have attracted intense interest due to their exotic quantum properties, yet the microscopic origin of structural chirality emerging from correlated charge order remains elusive. Here, we reveal that the interlayer phases of CDW wave vectors, an overlooked degree of freedom, play a crucial role in driving chiral structural displacements in layered CDW materials. By explicitly incorporating the interlayer phases in first-principles calculations, we successfully obtained the chiral structure of the CDW phases of AV$_3$Sb$_5$ (A= K, Rb, and Cs) and 1T-TiSe$_2$. The electronic and optical properties of the predicted chiral structures are consistent with experimental measurements of these materials in their CDW phases. We further predict that 1T-NbSe$_2$ is a promising material candidate for realizing chiral CDW order. Beyond materials prediction, our theory reveals that the chiral CDW can be manipulated by electron filling. Our study opens new avenues for discovering, designing, and engineering chiral CDW materials.

cond-mat.mtrl-sci↗