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The study of twisted two-dimensional (2D) materials, where twisting layers create moir\'e superlattices, has opened new opportunities for investigating topological phases and strongly correlated physics. While systems such as twisted bilayer graphene (TBG) and twisted transition metal dichalcogenides (TMDs) have been extensively studied, the broader potential of a seemingly infinite set of other twistable 2D materials remains largely unexplored. In this paper, we define "theoretically twistable materials" as single- or multi-layer structures that allow for the construction of simple continuum models of their moir\'e structures. This excludes, for example, materials with a "spaghetti" of bands or those with numerous crossing points at the Fermi level, for which theoretical moir\'e modeling is unfeasible. We present a high-throughput algorithm that systematically searches for theoretically twistable semimetals and insulators based on the Topological 2D Materials Database. By analyzing key electronic properties, we identify thousands of new candidate materials that could host rich topological and strongly correlated phenomena when twisted. We propose representative twistable materials for realizing different types of moir\'e systems, including materials with different Bravais lattices, valleys, and strength of spin-orbital coupling. We provide examples of crystal growth for several of these materials and showcase twisted bilayer band structures along with simplified twisted continuum models. Our results significantly broaden the scope of moir\'e heterostructures and provide a valuable resource for future experimental and theoretical studies on novel moir\'e systems., Comment: 15+81 pages, 5+187 figures, 4+104 tables. The Topological 2D Materials Database is available at https://topologicalquantumchemistry.com/topo2d/index.html . See also the accompanying paper "Two-dimensional Topological Quantum Chemistry and Catalog of Topological Materials"

Altermagnets are a newly discovered class of magnetic phases that combine the spin polarization behavior of ferromagnetic band structures with the vanishing net magnetization characteristic of antiferromagnets. Initially proposed for collinear magnets, the concept has since been extended to include certain non-collinear structures. A recent development in Landau theory for collinear altermagnets incorporates spin-space symmetries, providing a robust framework for identifying this class of materials. Here we expand on that theory to identify altermagnetic multipolar order parameters in non-collinear chiral materials. We demonstrate that the interplay between non-collinear altermagnetism and chirality allows for spatially odd multipole components, leading to non-trivial spin textures on Fermi surfaces and unexpected transport phenomena, even in the absence of SOC. This makes such chiral altermagnets fundamentally different from the well-known SOC-driven Rashba-Edelstein and spin Hall effects used for 2D spintronics. Choosing the chiral topological magnetic material Mn$_3$IrSi as a case study, we apply toy models and first-principles calculations to predict experimental signatures, such as large spin-Hall and Edelstein effects, that have not been previously observed in altermagnets. These findings pave the way for a new realm of spintronics applications based on spin-transport properties of chiral altermagnets., Comment: 22 pages, 3 figures

The rise of non-magnetic topological semimetals, which provide a promising platform for observing and controlling various spin-orbit effects, has led to significant advancements in the field of topological spintronics. RhSi exists in two distinct polymorphs: cubic and orthorhombic crystal structures. The noncentrosymmetric B20 cubic structure has been extensively studied for hosting unconventional multifold fermions. In contrast, the orthorhombic structure, which crystallizes in the Pnma space group (No. 62), remains less explored and belongs to the family of topological Dirac semimetals. In this work, we investigate the structural, magnetic, and electrical properties of RhSi textured-epitaxial films grown on Si(111) substrates, which crystallize in the orthorhombic structure. We investigate the efficiency of pure spin current transport across RhSi/permalloy interfaces and the subsequent spin-to-charge current conversion via inverse spin Hall effect measurements. The xperimentally determined spin Hall conductivity in orthorhombic RhSi reaches a maximum value of 126 ($\hbar$/e)($\Omega$.cm)$^{-1}$ at 10 K, which aligns reasonably well with first-principles calculations that attribute the spin Hall effect in RhSi to the spin Berry curvature mechanism. Additionally, we demonstrate the ability to achieve a sizable spin-mixing conductance (34.7 nm$^{-2}$) and an exceptionally high interfacial spin transparency of 88$%$ in this heterostructure, underlining its potential for spin-orbit torque switching applications. Overall, this study broadens the scope of topological spintronics, emphasizing the controlled interfacial spin-transport processes and subsequent spin-to-charge conversion in a previously unexplored topological Dirac semimetal RhSi/ferromagnet heterostructure.

In a well-ordered crystalline solid, insulating behaviour can arise from two mechanisms: electrons can either scatter off a periodic potential, thus forming band gaps that can lead to a band insulator, or they localize due to strong interactions, resulting in a Mott insulator. For an even number of electrons per unit cell, either band- or Mott-insulators can theoretically occur. However, unambiguously identifying an unconventional Mott-insulator with an even number of electrons experimentally has remained a longstanding challenge due to the lack of a momentum-resolved fingerprint. This challenge has recently become pressing for the layer dimerized van der Waals compound Nb$_3$Br$_8$, which exhibits a puzzling magnetic field-free diode effect when used as a weak link in Josephson junctions, but has previously been considered to be a band-insulator. In this work, we present a unique momentum-resolved signature of a Mott-insulating phase in the spectral function of Nb$_3$Br$_8$: the top of the highest occupied band along the out-of-plane dimerization direction $k_z$ has a momentum space separation of $\Delta k_z=2\pi/d$, whereas the valence band maximum of a band insulator would be separated by less than $\Delta k_z=\pi/d$, where $d$ is the average spacing between the layers. As the strong electron correlations inherent in Mott insulators can lead to unconventional superconductivity, identifying Nb$_3$Br$_8$ as an unconventional Mott-insulator is crucial for understanding its apparent time-reversal symmetry breaking Josephson diode effect. Moreover, the momentum-resolved signature employed here could be used to detect quantum phase transition between band- and Mott-insulating phases in van der Waals heterostructures, where interlayer interactions and correlations can be easily tuned to drive such transition., Comment: 9 pages, 3 figures

Materials hosting flat bands at the vicinity of the Fermi level promote exotic symmetry broken states. Common to many of these are van Hove singularities at saddle points of the dispersion or even higher-order van Hove singularities where the dispersion is flattened further. The band structure of kagome metals hosts both a flat band and two regular saddle points flanking a Dirac node. We investigate the kagome ferromagnetic metal Co$_3$Sn$_2$S$_2$ using scanning tunneling spectroscopy. We identify a new mechanism by which a triangular distortion on its kagome Co$_3$Sn surface termination considerably flattens the saddle point dispersion, and induces an isolated higher-order van Hove singularity (HOvHS) with algebraically divergent density of states pinned to the Fermi energy. The distortion-induced HOvHS precipitates a Pomeranchuk instability of the Fermi surface, resulting in the formation of a series of nematic electronic states. We visualize the nematic order across an energy shell of about 100 meV in both real-, reciprocal-, and momentum-spaces, as a cascade of wavefunction distributions which spontaneously break the remaining rotational symmetry of the underlying distorted kagome lattice, without generating any additional translational symmetry breaking. It signifies the spontaneous removal of a subset of saddle points from the Fermi energy to lower energies. By tracking the electronic wavefunction structure across the deformed Fermi surface we further identify a charge pumping-like evolution of the wavefunction center of mass. The mechanism we find for the generation of higher-order saddle points under a kagome distortion may be common to other kagome materials, and potentially other lattice structures, suggesting a generic new avenue for inducing unconventional electronic instabilities towards exotic states of matter.

Emerging magnetic fields related to the presence of topologically protected spin textures such as skyrmions are expected to give rise to additional, topology-related contributions to the Hall effect. In order to doubtlessly identify this so-called topological Hall effect, it is crucial to disentangle such contributions from the anomalous Hall effect. This necessitates a direct correlation of the transversal Hall voltage with the underlying magnetic textures. We utilize a novel measurement platform that allows to acquire high-resolution Lorentz transmission electron microscopy images of magnetic textures as a function of an external magnetic field and to concurrently measure the (anomalous) Hall voltage in-situ in the microscope on one and the same specimen. We use this approach to investigate the transport signatures of the chiral soliton lattice and antiskyrmions in Mn$_{1.4}$PtSn. Notably, the observed textures allow to fully understand the measured Hall voltage without the need of any additional contributions due to a topological Hall effect, and the field-controlled formation and annihilation of anstiskyrmions are found to have no effect on the measurend Hall voltage.

Angular momentum (AM), a fundamental concept describing the rotation of an object about an axis, profoundly influences all branches of physics. In condensed matter, AM is intimately related to the emergence of topological quantum states, including chiral superconductivity and quantum spin liquids, and various chiral quasiparticles. Recently, it has been predicted that microscopic lattice excitations, known as phonons, can carry finite AM with remarkable macroscopic physical consequences. However, the direct observation of phonon-AM has not been achieved. In this letter, we report the experimental discovery of phonon-AM in the chiral crystal Tellurium. We show that due to AM conservation, applying a time-reversal symmetry breaking thermal gradient along the chiral axis of single crystal Te results in a macroscopic mechanical torque, $\tau$, that can be observed using a cantilever-based device. We establish that the mechanical torques change sign by flipping the thermal gradient and disappear in polycrystalline samples that lack a preferred chirality. Based on our experimental settings, we estimate $\tau\sim10^{-11}$N$\cdot$m, in agreement with theoretical calculations. Our results uncover phonon-AM and pave the way for phonon-AM enabled quantum states for microelectronic applications.

Magnetic topological semimetals are increasingly fueling interests in exotic electronic-thermal physics including thermoelectrics and spintronics. To control the transports of topological carriers in such materials becomes a central issue. However, the topological bands in real materials are normally intricate, leaving obstacles to understand the transports in a physically clear way. Parallel to the renowned effective two-band model in magnetic field scale for semiconductors, here, an effective Weyl-band model in temperature scale was developed with pure Weyl state and a few meaningful parameters for topological semimetals. Based on the model, a universal scaling was established and subsequently verified by reported experimental transports. The essential sign regularity of anomalous Hall and Nernst transports was revealed with connection to chiralities of Weyl nodes and carrier types. Upon a double-Weyl model, a concept of Berry-curvature ferrimagnetic structure, as an analogy to the real-space magnetic structure, was further proposed and well described the emerging sign reversal of Nernst thermoelectric transports in temperature scale. Our study offers a convenient tool for scaling the Weyl-fermion-related transport physics, and promotes the modulations and applications of magnetic topological materials in future topological quantum devices., Comment: Five figs

RhBi$_2$ is a polymorphic system that exhibits two distinct phases. RhBi$_2$ in the triclinic phase has been identified as a weak topological insulator with a van Hove singularity point close to the Fermi energy. Thus, triclinic RhBi$_2$ is expected to exhibit exotic quantum properties under strain or pressure. In this study, we report on the emergence of superconductivity in the monoclinic RhBi$_2$ under external pressures. The electrical resistivity behavior of the monoclinic RhBi$_2$ single crystal is studied at a wide range of applied external pressures up to 40 GPa. We observe a pressure-induced superconductivity with a dome-shaped dependence of the critical temperature on pressure at pressures above 10 GPa. A maximum critical temperature ($T_\mathrm{c}$) value of $T_\mathrm{c}$ = 5.1 K is reached at the pressure of 16.1 GPa. Furthermore, we performed detailed ab initio calculations to understand the electronic band structures of monoclinic RhBi$_2$ under varying pressures. The combination of topology and pressure-induced superconductivity in the RhBi$_2$ polymorphic system may provide us with a new promising material platform to investigate topological superconductivity., Comment: 6 pages, 5 figure

Chirality pervades natural processes from the atomic to the cosmic scales, crucially impacting molecular chemistry and pharmaceutics. Traditional chirality sensing methods face challenges in sensitivity and efficiency, prompting the quest of novel chiral recognition solutions based on nanophotonics. In this work we theoretically investigate the possibility to carry out enantiomeric discrimination by measuring the spontaneous emission rate of chiral molecules on twisted two-dimensional materials. We first present a general theoretical framework based on dyadic Green's functions to calculate the chiral contribution to the decay rate in the presence of a generic chiral bilayer interface. We then combine this theory with density functional theory to obtain numerical estimates of the decay rate of helical bilayer nanographene molecules placed on top of twisted bilayer graphene., Comment: 9 pages, 2 figures, 6 appendices. Draft version. Comments are welcome!

We report superconductivity in the ternary compound IrBi$_{0.8}$Te$_{1.2}$ with critical temperature 1.7 K. The replacement of Bi by Te leads to the metallic conductivity in contrast to the semiconducting parent compound IrBiTe. The superconductivity can be further enhanced by application of external pressure. $T_c$ demonstrates dome-shaped dependence on pressure with a maximum value of 2.6 K at 26.5 GPa. Pressure effects on electronic properties and lattice dynamic of IrBi$_{0.8}$Te$_{1.2}$ were studied by pressure dependent electrical resistivity, Hall effect and Raman spectroscopy measurements., Comment: 15 pages, 4 figures

Selective sensing of chiral molecules is a key aspect in fields spanning biology, chemistry, and pharmacology. However, conventional optical methods, such as circular dichroism (CD), encounter limitations owing to weak chiral light-matter interactions. Several strategies have been investigated to enhance CD or circularly polarised luminescence (CPL), including superchiral light, plasmonic nanoresonators and dielectric nanostructures. However, a compromise between spatial uniformity and high sensitivity, without requiring specific molecular functionalization, remains a challenge. In this work, we propose a novel approach using twisted bilayer graphene (TBG), a chiral 2D material with a strong CD peak which energy is tunable through the twist angle. By matching the CD resonance of TBG with the optical transition energy of the molecule, we achieve a decay rate enhancement mediated by resonant energy transfer that depends on the electric-magnetic interaction, that is, on the chirality of both the molecules and TBG. This leads to an enantioselective quenching of the molecule fluorescence, allowing to retrieve the molecule chirality from time-resolved photoluminescence measurements. This method demonstrates high sensitivity down to single layer of molecules, with the potential to achieve the ultimate goal of single-molecule chirality sensing, while preserving the spatial uniformity and integrability of 2D heterostructures.

In this account, we will give an overview of our research progress on novel quantum properties in topological quantum materials with kagome lattice. Here, there are mainly two categories of kagome materials: magnetic kagome materials and nonmagnetic ones. On one hand, magnetic kagome materials mainly focus on the 3d transition-metal-based kagome systems, including Fe$_3$Sn$_2$, Co$_3$Sn$_2$S$_2$, YMn6Sn6, FeSn, and CoSn. The interplay between magnetism and topological bands manifests vital influence on the electronic response. For example, the existence of massive Dirac or Weyl fermions near the Fermi level signicantly enhances the magnitude of Berry curvature in momentum space, leading to a large intrinsic anomalous Hall effect. In addition, the peculiar frustrated structure of kagome materials enables them to host a topologically protected skyrmion lattice or noncoplaner spin texture, yielding a topological Hall effect that arises from the realspace Berry phase. On the other hand, nonmagnetic kagome materials in the absence of longrange magnetic order include CsV3Sb5 with the coexistence of superconductivity, charge density wave state, and band topology and van der Waals semiconductor Pd$_3$P$_2$S$_8$. For these two kagome materials, the tunability of electric response in terms of high pressure or carrier doping helps to reveal the interplay between electronic correlation effects and band topology and discover the novel emergent quantum phenomena in kagome materials., Comment: 10 pages,7 figures

Kagome materials with magnetic frustration in two-dimensional networks are known for their exotic properties, such as the anomalous Hall effect (AHE) with non-collinear spin textures. However, the effects of one-dimensional (1D) spin chains within these networks are less understood. Here, we report a distinctive AHE in the bilayer-distorted kagome material GdTi$_3$Bi$_4$, featuring 1D Gd zigzag spin chains, a one-third magnetization plateau, and two successive metamagnetic transitions. At these metamagnetic transitions, Hall resistivity shows abrupt jumps linked to the formation of stripe domain walls, while within the plateau, the absence of detectable domain walls suggests possible presence of skyrmion phase. Reducing the sample size to a few microns reveals additional Hall resistivity spikes, indicating domain wall skew scattering contributions. Magnetic atomistic spin dynamics simulations reveal that the magnetic textures at these transitions have reverse chirality, explaining the evolution of AHE and domain walls with fields. These results underscore the potential of magnetic and crystal symmetry interplay, and magnetic field-engineered spin chirality, for controlling domain walls and tuning transverse properties, advancing spintronic applications.

We conducted a high-throughput search for topological magnetic materials on 522 new, experimentally reported commensurate magnetic structures from MAGNDATA, doubling the number of available materials on the Topological Magnetic Materials database. This brings up to date the previous studies which had become incomplete due to the discovery of new materials. For each material, we performed first-principle electronic calculations and diagnosed the topology as a function of the Hubbard U parameter. Our high-throughput calculation led us to the prediction of 250 experimentally relevant topologically non-trivial materials, which represent 47.89% of the newly analyzed materials. We present five remarkable examples of these materials, each showcasing a different topological phase: Mn${}_2$AlB${}_2$ (BCSID 1.508), which exhibits a nodal line semimetal to topological insulator transition as a function of SOC, CaMnSi (BCSID 0.599), a narrow gap axion insulator, UAsS (BCSID 0.594) a 5f-orbital Weyl semimetal, CsMnF${}_4$ (BCSID 0.327), a material presenting a new type of quasi-symmetry protected closed nodal surface and FeCr${}_2$S${}_4$ (BCSID 0.613), a symmetry-enforced semimetal with double Weyls and spin-polarised surface states., Comment: 249 pages, Full topologies and band structures are provided on the Topological Magnetic Materials Database https://www.topologicalquantumchemistry.fr/magnetic/

As a special type of collinear antiferromagnetism (AFM), altermagnetism has garnered significant research interest recently. Altermagnets exhibit broken parity-time symmetry and zero net magnetization in real space, leading to substantial band splitting in momentum space even in the absence of spin-orbit coupling. Meanwhile, parity-time symmetry breaking always induce nontrivial band topology such as Weyl nodes. While Weyl semimetal states and nodal lines have been theoretically proposed in altermagnets, rare reports of experimental observation have been made up to this point. Using ARPES and first-principles calculations, we systematically studied the electronic structure of the room-temperature altermagnet candidate CrSb. At generic locations in momentum space, we clearly observed band spin splitting. Furthermore, we identified discrete surface Fermi arcs on the (100) cleaved side surface close to the Fermi level originating from bulk band topology. Our results imply that CrSb contains interesting nontrivial topological Weyl physics, in addition to being an excellent room temperature altermagnet., Comment: 10 pages, 4 figures

2D topological insulators promise novel approaches towards electronic, spintronic, and quantum device applications. This is owing to unique features of their electronic band structure, in which bulk-boundary correspondences enforces the existence of 1D spin-momentum locked metallic edge states - both helical and chiral - surrounding an electrically insulating bulk. Forty years since the first discoveries of topological phases in condensed matter, the abstract concept of band topology has sprung into realization with several materials now available in which sizable bulk energy gaps - up to a few hundred meV - promise to enable topology for applications even at room-temperature. Further, the possibility of combining 2D TIs in heterostructures with functional materials such as multiferroics, ferromagnets, and superconductors, vastly extends the range of applicability beyond their intrinsic properties. While 2D TIs remain a unique testbed for questions of fundamental condensed matter physics, proposals seek to control the topologically protected bulk or boundary states electrically, or even induce topological phase transitions to engender switching functionality. Induction of superconducting pairing in 2D TIs strives to realize non-Abelian quasiparticles, promising avenues towards fault-tolerant topological quantum computing. This roadmap aims to present a status update of the field, reviewing recent advances and remaining challenges in theoretical understanding, materials synthesis, physical characterization and, ultimately, device perspectives.

Magnetic metals with geometric frustration offer a fertile ground for studying novel states of matter with strong quantum fluctuations and unique electromagnetic responses from conduction electrons coupled to spin textures. Recently, TbTi$_3$Bi$_4$ has emerged as such an intriguing platform as it behaves as a quasi-one-dimension (quasi-1D) Ising magnet with antiferromagnetic orderings at 20.4 K and 3 K, respectively. Magnetic fields along the Tb zigzag-chain direction reveal plateaus at 1/3 and 2/3 of saturated magnetization, respectively. At metamagnetic transition boundaries, a record-high anomalous Hall conductivity of 6.2 $\times$ 10$^5$ $\Omega^{-1}$ cm$^{-1}$ is observed. Within the plateau, noncollinear magnetic texture is suggested. In addition to the characteristic Kagome 2D electronic structure, ARPES unequivocally demonstrates quasi-1D electronic structure from the Tb 5$d$ bands and a quasi-1D hybridization gap in the magnetic state due to band folding with $q$ = (1/3, 0, 0) possibly from the spin-density-wave order along the Tb chain. These findings emphasize the crucial role of mixed dimensionality and the strong coupling between magnetic texture and electronic band structure in regulating physical properties of materials, offering new strategies for designing materials for future spintronics applications., Comment: 22 pages, 4 figures

Manipulating solids using the time-periodic drive of a laser pulse is a promising route to generate new phases of matter. Whether such `Floquet-Bloch' manipulation can be achieved in topological magnetic systems with disorder has so far been unclear. In this work, we realize Floquet-Bloch manipulation of the Dirac surface-state mass of the topological antiferromagnet (AFM) MnBi$_2$Te$_4$. Using time- and angle-resolved photoemission spectroscopy (tr-ARPES), we show that opposite helicities of mid-infrared circularly polarized light result in substantially different Dirac mass gaps in the AFM phase, despite the equilibrium Dirac cone being massless. We explain our findings in terms of a Dirac fermion with a random mass. Our results underscore Floquet-Bloch manipulation as a powerful tool for controlling topology even in the presence of disorder, and for uncovering properties of materials that may elude conventional probes.

The Kagome network is a unique platform in solid state physics that harbors a diversity of special electronic states due to its inherent band structure features comprising Dirac cones, van-Hove singularities, and flat bands. Some Kagome-based non-magnetic metals have recently been found to exhibit favorable properties, including unconventional superconductivity, charge density waves (CDW), switchable chiral transport, and signatures of an anomalous Hall effect (AHE). The Kagome metal ScV6Sn6 is another promising candidate for studying the emergence of an unconventional CDW and accompanying effects. We use 51V nuclear magnetic resonance (NMR) to study the local properties of the CDW phase in single crystalline ScV6Sn6, aided by density functional theory (DFT). We trace the dynamics of the local magnetic field during the CDW phase transition and determine a loss in the density of states (DOS) by a factor of $\sqrt{2}$, in excellent agreement with DFT. The local charge symmetry of the V surrounding in the CDW phase reflects the commensurate modulation of the charge density with wave vector q=(1/3,1/3,1/3). An unusual orientation dependent change in the NMR shift splitting symmetry, however, reveals orbital selective modulations of the local DOS., Comment: 25 pages, 6 figures, supplementary files

The discovery of topological semimetals with multifold band crossings has opened up a new and exciting frontier in the field of topological physics. These materials exhibit large Chern numbers, leading to long double Fermi arcs on their surfaces, which are protected by either crystal symmetries or topological order. The impact of these multifold crossings extends beyond surface science, as they are not constrained by the Poincar\'e classification of quasiparticles and only need to respect the crystal symmetry of one of the 1651 magnetic space groups. Consequently, we observe the emergence of free fermionic excitations in solid-state systems that have no high-energy counterparts, protected by non-symmorphic symmetries. In this work, we review the recent theoretical and experimental progress made in the field of multifold topological semimetals. We begin with the theoretical prediction of the so-called multifold fermions and discuss the subsequent discoveries of chiral and magnetic topological semimetals. Several experiments that have realized chiral semimetals in spectroscopic measurements are described, and we discuss the future prospects of this field. These exciting developments have the potential to deepen our understanding of the fundamental properties of quantum matter and inspire new technological applications in the future., Comment: 9 pages, 2 figures

Kagome metals are known to host Dirac fermions and saddle point Van Hove singularities near Fermi level. With the minimal two-pocket model (Dirac cone + Van Hove singularity), we propose a semiclassical theory to explain the experimentally observed sublinear resistivity in Ni$_3$In and other Kagome metals. We derive the full semiclassical description of kinetic phenomena using Boltzmann equation, and demonstrate that internode electron-electron interaction leads to sublinear in $T$ scaling for both electrical and thermal transport at low temperatures. At higher temperatures above the Dirac node chemical potential, thermal and electric current dissipate through distinct scattering channels, making a ground for Wiedemann-Franz law violation., Comment: 4.5 + 4 pages, 4 + 4 figures

The interplay between topology and superconductivity in quantum materials harbors rich physics ripe for discovery. In this study, we investigate the topological properties and superconductivity of the nonsymmorphic chiral superconductor NbGe$_2$ using high-resolution angle-resolved pho-toemission spectroscopy (ARPES), transport measurements, and ab initio calculations. The ARPES data revealed exotic chiral surface states on the (100) surface originating from the inherent chiral crystal structure. Supporting calculations indicate that NbGe$_2$ likely hosts elusive Weyl fermions in its bulk electronic structure. Furthermore, we uncovered the signatures of van Hove singularities that can enhance many-body interactions. Additionally, transport measurements demonstrated that NbGe$_2$ exhibits superconductivity below 2K. Overall, our comprehensive results provide the first concrete evidence that NbGe$_2$ is a promising platform for investigating the interplay between non-trivial band topology, possible Weyl fermions, van Hove singularities, and superconductivity in chiral quantum materials.

Compounds with a kagome lattice exhibit intriguing properties and the charge density wave (CDW) adds an additional layer of interest to research on them. In this study, we investigate the temperature and magnetic field dependent electrical properties under a chemical substitution and hydrostatic pressure of ScV6Sn6, a non-magnetic charge density wave (CDW) compound. Substituting 5 % Cr at the V site or applying 1.5 GPa of pressure shifts the CDW to 50 K from 92 K. This shift is attributed to the movement of the imaginary phonon band, as revealed by the phonon dispersion relation. The longitudinal and Hall resistivities respond differently under these stimuli. The magnetoresistance (MR) maintains its quasilinear behavior under pressure, but it becomes quadratic after Cr substitution. The anomalous Hall-like behavior of the parent compound persists up to the respective CDW transition under pressure, after which it sharply declines. In contrast, the longitudinal and Hall resistivities of Cr substituted compounds follow a two-band model and originates from the multi carrier effect. These results clearly highlight the role of phonon contributions in the CDW transition and call for further investigation into the origin of the anomalous Hall-like behavior in the parent compound., Comment: 18 pages, 5 figures, supplementary files

Recently, a novel magnetic phase called altermagnetism has been proposed, ushering in a third distinct magnetic phase beyond ferromagnetism and antiferromagnetism. It is expected that this groundbreaking phase exhibits unique physical properties such as C-paired spin-valley locking, anomalous Hall effect, nontrivial Berry phase, and giant magnetoresistance, etc. Among all the predicted candidates, several room temperature altermagnets are suggested to host significant potential applications in the near future. Nevertheless, direct evidence about the spin pattern of the room temperature altermagnet is still unrevealed. Previous studies found that RuO2 is identified as the most promising candidate for room temperature d-wave altermagnetism, exhibiting a substantial spin splitting of up to 1.4 eV. In this study, utilizing angle-resolved photoemission spectroscopy (ARPES), we report experimental observation of the spin splitting in RuO2. Furthermore, employing spin-ARPES, we directly observed the d-wave spin pattern. Our results unequivocally show that RuO2 is a perfect d-wave altermagnet with great potential for upcoming spintronic applications., Comment: 32 pages, 12 figures

Kagome metals with charge density wave (CDW) order exhibit a broad spectrum of intriguing quantum phenomena. The recent discovery of the novel kagome CDW compound ScV$_6$Sn$_6$ has spurred significant interest. However, understanding the interplay between CDW and the bulk electronic structure has been obscured by a profusion of surface states and terminations in this quantum material. Here, we employ photoemission spectroscopy and potassium dosing to elucidate the complete bulk band structure of ScV$_6$Sn$_6$, revealing multiple van Hove singularities near the Fermi level. We surprisingly discover a robust spin-polarized topological Dirac surface resonance state at the M point within the two-fold van Hove singularities. Assisted by the first-principle calculations, the temperature dependence of the $k_z$- resolved ARPES spectrum provides unequivocal evidence for the proposed $\sqrt{3}$$\times$$\sqrt{3}$$\times3$ charge order over other candidates. Our work not only enhances the understanding of the CDW-dependent bulk and surface states in ScV$_6$Sn$_6$ but also establishes an essential foundation for potential manipulation of the CDW order in kagome materials., Comment: To appear in PRB

Charge density waves (CDWs) appear in numerous condensed matter platforms, ranging from high-Tc superconductors to quantum Hall systems. Despite such ubiquity, there has been a lack of direct experimental study on boundary states that can uniquely stem from the charge order. Here, using scanning tunneling microscopy, we directly visualize the bulk and boundary phenomenology of CDW in a topological material, Ta2Se8I. Below the transition temperature (TCDW = 260 K), tunneling spectra on an atomically resolved lattice reveal a large insulating gap in the bulk and on the surface, exceeding 500 meV, surpassing predictions from standard weakly-coupled mean-field theory. Spectroscopic imaging confirms the presence of CDW, with LDOS maxima at the conduction band corresponding to the LDOS minima at the valence band, thus revealing a {\pi} phase difference in the respective CDW order. Concomitantly, at a monolayer step edge, we detect an in-gap boundary mode with modulations along the edge that match the CDW wavevector along the edge. Intriguingly, the phase of the edge state modulation shifts by {\pi} within the charge order gap, connecting the fully gapped bulk (and surface) conduction and valence bands via a smooth energy-phase relation. This bears similarity to the topological spectral flow of edge modes, where the boundary modes bridge the gapped bulk modes in energy and momentum magnitude but in Ta2Se8I, the connectivity distinctly occurs in energy and momentum phase. Notably, our temperature-dependent measurements indicate a vanishing of the insulating gap and the in-gap edge state above TCDW, suggesting their direct relation to CDW. The theoretical analysis also indicates that the observed boundary mode is topological and linked to CDW., Comment: Nature Physics (2024); in press

Nonlinear Hall effect arises in materials without inversion symmetry, and the intrinsic contribution is typically from Berry curvature dipole of non-universal Fermi pockets. Here we propose that nonlinear Hall effect can reach quantization in chiral Weyl semimetals without mirror symmetries. The energy shift between a pair of Weyl nodes leads to chirally asymmetric intra-node relaxation, and the net trace of nonlinear Hall conductivity is thus quantized in units of $e^3/\hbar^2$ and determined by sum of monopole charge weighted by the transport relaxation time. Our theory also applies to mirror symmetric Weyl/Dirac semimetals with chiral anomaly. Additionally, besides DC transport probes, we anticipate that nonlinear circular dichroism measurements could detect chiral asymmetry-induced currents., Comment: 4+4 pages, 3 figures

We report an extensive extensive study of the noncentrosymmetric half-Heusler topological superconductor YPtBi, revealing unusual relation between bulk superconductivity and the appearance of surface superconductivity at temperatures up to 3 times the bulk transition temperature. Transport measurements confirmed the low carrier density of the material and its bulk superconducting transition, which was also observed in ac susceptibility through mutual inductance (MI) measurements. However, a weak signature of superconductivity in the MI measurements appeared much above the bulk transition temperature, which was further observed in scanning tunneling spectroscopy. Polar Kerr effect measurements suggest that while the bulk superconductor may exhibit an unusual nodal superconducting state, only the surface state breaks time reversal symmetry. Complementary tunneling measurements on LuPtBi are used to establish the observations on YPtBi, while density-functional theory (DFT) calculations may shed light on the origin of this unusual surface state., Comment: 11 pages, 10 figures

We study thermalization and thermal transport in single crystals of CsV$_3$Sb$_5$ through the CDW transition by directly measuring thermal diffusivity ($D$), thermal conductivity ($\kappa$), resistivity ($\rho$), and specific heat ($c$). Commensurate with previous reports, we observe a sharp, narrow anomaly in specific heat associated with a first order transition that results in a CDW state below $\sim94$ K. While a corresponding sharp anomaly in thermal diffusivity is also observed, resistivity and thermal conductivity only exhibit small steps at the transition, where the feature is sharp for resistivity and broader for thermal conductivity. Scrutinizing the thermal Einstein relation $\kappa=cD$, we find that this relation is satisfied in the entire temperature range, except in a narrow range around the transition. The Wiedemann-Franz law seems to work outside the critical region as well. Below the transition and persisting below the two-phase regime we find strong resemblance between the resistivity anomaly and the specific heat, which may point to a secondary electronic order parameter that emerges continuously below the transition., Comment: 11 pages, 6 figures

Chirality-induced spin selectivity (CISS) is an effect that has recently attracted a great deal of attention in chiral chemistry and that remains to be understood. In the CISS effect, electrons passing through chiral molecules acquire a large degree of spin polarization. In this work we study the case of atomically-thin chiral crystals created by van der Waals assembly. We show that this effect can be spectacularly large in systems containing just two monolayers, provided they are spin-orbit coupled. Its origin stems from the combined effects of structural chirality and spin-flipping spin-orbit coupling. We present detailed calculations for twisted homobilayer transition metal dichalcogenides, showing that the chirality-induced spin polarization can be giant, e.g. easily exceeding $50\%$ for ${\rm MoTe}_2$. Our results clearly indicate that twisted quantum materials can operate as a fully tunable platform for the study and control of the CISS effect in condensed matter physics and chiral chemistry., Comment: 6 pages, 4 figures + Supplemental Material

Chirality is a fundamental property of great importance in physics, chemistry, and biology, and has recently been found to generate unexpected spin polarization for electrons passing through organic molecules, known as chirality-induced spin selectivity (CISS). CISS shows promising application potential in spintronic devices, spin-controlled chemistry, and enantiomer separation. It focuses on organic molecules that exhibit poor electronic conductivity and inherent complexities, such as the debated role of SOC at the molecule-metal interface. In this work, we go beyond organic molecules and study chiral solids with excellent electrical conductivity, intrinsic SOC, and topological electronic structures. We demonstrate that electrons exhibit both spin and orbital polarization as they pass through chiral crystals. Both polarization increases with material thickness before saturating to the bulk values. The spin polarization is proportional to intrinsic SOC while the orbital polarization is insensitive to SOC. The large spin polarization comes with strong electrical magnetochiral anisotropy in the magneto-transport of these chiral crystals (e.g., RhSi). Our work reveals the interplay of chirality, electron spin, and orbital in chiral crystals, paving the way for developing chiral solids for chirality-induced phenomena., Comment: 23 pages, 5 figures

The charge-density wave (CDW) mechanism and resulting structure of the AV3Sb5 family of kagome metals has posed a puzzling challenge since their discovery four years ago. In fact, the lack of consensus on the origin and structure of the CDW hinders the understanding of the emerging phenomena. Here, by employing a non-perturbative treatment of anharmonicity from first-principles calculations, we reveal that the charge-density transition in CsV3Sb5 is driven by the large electron-phonon coupling of the material and that the melting of the CDW state is attributed to ionic entropy and lattice anharmonicity. The calculated transition temperature is in very good agreement with experiments, implying that soft mode physics are at the core of the charge-density wave transition. Contrary to the standard assumption associated with a pure kagome lattice, the CDW is essentially three-dimensional as it is triggered by an unstable phonon at the L point. The absence of involvement of phonons at the M point enables us to constrain the resulting symmetries to six possible space groups. The unusually large electron-phonon linewidth of the soft mode explains why inelastic scattering experiments did not observe any softened phonon. We foresee that large anharmonic effects are ubiquitous and could be fundamental to understand the observed phenomena also in other kagome families., Comment: 8 pages, 5 figures

The emerging field of orbitronics aims at generating and controlling currents of electronic orbital angular momentum (OAM) for information processing. Structurally chiral topological crystals could be particularly suitable orbitronic materials because they have been predicted to host topological band degeneracies in reciprocal space that are monopoles of OAM. Around such a monopole, the OAM is locked isotopically parallel or antiparallel to the direction of the electron's momentum, which could be used to generate large and controllable OAM currents. However, OAM monopoles have not yet been directly observed in chiral crystals, and no handle to control their polarity has been discovered. Here, we use circular dichroism in angle-resolved photoelectron spectroscopy (CD-ARPES) to image OAM monopoles in the chiral topological semimetals PtGa and PdGa. Moreover, we also demonstrate that the polarity of the monopole can be controlled via the structural handedness of the host crystal by imaging OAM monopoles and anti-monopoles in the two enantiomers of PdGa, respectively. For most photon energies used in our study, we observe a sign change in the CD-ARPES spectrum when comparing positive and negative momenta along the light direction near the topological degeneracy. This is consistent with the conventional view that CD-ARPES measures the projection of the OAM monopole along the photon momentum. For some photon energies, however, this sign change disappears, which can be understood from our numerical simulations as the interference of polar atomic OAM contributions, consistent with the presence of OAM monopoles. Our results highlight the potential of chiral crystals for orbitronic device applications, and our methodology could enable the discovery of even more complicated nodal OAM textures that could be exploited for orbitronics., Comment: 16 pages, 8 figures

The electronic structure and interactions of kagome materials such as 1:1 (FeGe class) and 1:6:6 (MgFe$_6$Ge$_6$ class) are complicated and involve many orbitals and bands at the Fermi level. Current theoretical models treat the systems in an $s$-orbital kagome representation, unsuited and incorrect both quantitatively and qualitatively to the material realities. In this work, we lay the basis of a faithful framework of the electronic model for this large class of materials. We show that the complicated ``spaghetti" of electronic bands near the Fermi level can be decomposed into three groups of $d$-Fe orbitals coupled to specific Ge orbitals. Such decomposition allows for a clear analytical understanding (leading to different results than the simple $s$-orbital kagome models) of the flat bands in the system based on the $S$-matrix formalism of generalized bipartite lattices. Our three minimal Hamiltonians can reproduce the quasi-flat bands, van Hove singularities, topology, and Dirac points close to the Fermi level, which we prove by extensive ab initio studies. We also obtain the interacting Hamiltonian of $d$ orbitals in FeGe using the constraint random phase approximation (cRPA) method. We then use this as a fundamental ``LEGO"-like building block for a large family of 1:6:6 kagome materials, which can be obtained by doubling and perturbing the FeGe Hamiltonian. We applied the model to its kagome siblings FeSn and CoSn, and also MgFe$_6$Ge$_6$. Our work serves as the first complete framework for the study of the interacting phase diagram of kagome compounds., Comment: 5+50 pages, 3+16 figures, previously submitted. This is the second paper of a series on kagome materials. See also the first paper: arXiv:2305.15469

Large-scale moir\'e systems are extraordinarily sensitive, with even minute atomic shifts leading to significant changes in electronic structures. Here, we investigate the lattice relaxation effect on moir\'e band structures in twisted bilayer MoTe$_2$ with two approaches: (a) large-scale plane-wave basis first principle calculation down to $2.88^{\circ}$, (b) transfer learning structure relaxation + local-basis first principles calculation down to $1.1^{\circ}$. We use two types of van der Waals corrections: the D2 method of Grimme and the density-dependent energy correction, and find that the density-dependent energy correction yields a continuous evolution of bandwidth with twist angles. Based on the above results. we develop a more complete continuum model with a single set of parameters for a wide range of twist angles, and perform many-body simulations at $\nu=-1,-2/3, -1/3$., Comment: 6+15 pages, 5+16 figs, updated continuum model fitting, dDsC correction in maintext, D2 correction in the SM

In a series of recent reports, doped lead apatite (LK-99) has been proposed as a candidate ambient temperature and pressure superconductor. However, from both an experimental and theoretical perspective, these claims are largely unsubstantiated. To this end, our synthesis and subsequent analysis of an LK-99 sample reveals a multiphase material that does not exhibit high-temperature superconductivity. We study the structure of this phase with single-crystal X-ray diffraction (SXRD) and find a structure consistent with doped $\text{Pb}_{10}(\text{PO}_4)_6(\text{OH})_2$. However, the material is transparent which rules out a superconducting nature. From ab initio defect formation energy calculations, we find that the material likely hosts $\text{OH}^-$ anions, rather than divalent $\text{O}^{2-}$ anions, within the hexagonal channels and that Cu substitution is highly thermodynamically disfavored. Phonon spectra on the equilibrium structures reveal numerous unstable phonon modes. Together, these calculations suggest it is doubtful that Cu enters the structure in meaningful concentrations, despite initial attempts to model LK-99 in this way. However for the sake of completeness, we perform ab initio calculations of the topology, quantum geometry, and Wannier function localization in the Cu-dominated flat bands of four separate doped structures. In all cases, we find they are atomically localized by irreps, Wilson loops, and the Fubini-Study metric. It is unlikely that such bands can support strong superfluidity, and instead are susceptible to ferromagnetism (or out-of-plane antiferromagnetism) at low temperatures, which we find in ab initio studies. In sum, $\text{Pb}_{9}\text{Cu}(\text{PO}_4)_6(\text{OH})_2$ could more likely be a magnet, rather than an ambient temperature and pressure superconductor., Comment: 39 pages including appendices. Updated defect calculations and energy-dispersive X-ray spectroscopy data

Recently, the giant intrinsic anomalous Hall effect (AHE) has been observed in the materials with kagome lattice. In this study, we systematically investigate the influence of high pressure on the AHE in the ferromagnet LiMn6Sn6 with clean Mn kagome lattice. Our in-situ high-pressure Raman spectroscopy indicates that the crystal structure of LiMn6Sn6 maintains a hexagonal phase under high pressures up to 8.51 GPa. The anomalous Hall conductivity (AHC) {\sigma}xyA remains around 150 {\Omega}-1 cm-1, dominated by the intrinsic mechanism. Combined with theoretical calculations, our results indicate that the stable AHE under pressure in LiMn6Sn6 originates from the robust electronic and magnetic structure., Comment: 11 pages 5 figures

The interplay between chirality and topology nurtures many exotic electronic properties. For instance, topological chiral semimetals display multifold chiral fermions that manifest nontrivial topological charge and spin texture. They are an ideal playground for exploring chirality-driven exotic physical phenomena. In this work, we reveal a monopole-like orbital-momentum locking texture on the three-dimensional Fermi surfaces of topological chiral semimetals with B20 structures (e.g., RhSi and PdGa). This orbital texture enables a large orbital Hall effect (OHE) and a giant orbital magnetoelectric (OME) effect in the presence of current flow. Different enantiomers exhibit the same OHE which can be converted to the spin Hall effect by spin-orbit coupling in materials. In contrast, the OME effect is chirality-dependent and much larger than its spin counterpart. Our work reveals the crucial role of orbital texture for understanding OHE and OME effects in topological chiral semimetals and paves the path for applications in orbitronics, spintronics, and enantiomer recognition., Comment: 23 pages, 5 figures

The screening response of vortices in kagome superconductor CsV$_3$Sb$_5$ was measured using the ac mutual inductance technique. Besides confirming the absence of gapless quasiparticles in zero external magnetic field, we observe the peak effect, manifested in enhanced vortex pinning strength and critical current, in a broad intermediate range of magnetic field. The peaks are followed by another crossover from strong to weak pinning, unlike the usual peak effect that diminishes smoothly at $H_{c2}$. Hysteresis in the screening response allows the identification of a vortex glass phase which strongly correlates with the onset of the peaks. A variety of features in the temperature- and field-dependence of the screening response, corroborated by resistance and dc magnetization measurements, have allowed us to extract an $H$-$T$ phase diagram of the vortex states and to infer the irreversibility line $H_\text{irr}(T)$., Comment: Main text: 6 pages, 4 figures; supplementary: 10 pages, 8 figures

The kagome metals AV$_3$Sb$_5$ (A=K,Rb,Cs) present an ideal sandbox to study the interrelation between multiple coexisting correlated phases such as charge order and superconductivity. So far, no consensus on the microscopic nature of these states has been reached as the proposals struggle to explain all their exotic physical properties. Among these, field-switchable electric magneto-chiral anisotropy (eMChA) in CsV$_3$Sb$_5$ provides intriguing evidence for a rewindable electronic chirality, yet the other family members have not been likewise investigated. Here, we present a comparative study of magneto-chiral transport between CsV$_3$Sb$_5$ and KV$_3$Sb$_5$. Despite their similar electronic structure, KV$_3$Sb$_5$ displays negligible eMChA, if any, and with no field switchability. This is in stark contrast to the non-saturating eMChA in CsV$_3$Sb$_5$ even in high fields up to 35 T. In light of their similar band structures, the stark difference in eMChA suggests its origin in the correlated states. Clearly, the V kagome nets alone are not sufficient to describe the physics and the interactions with their environment are crucial in determining the nature of their low-temperature state.

The direct manipulation of spins via light may provide a path toward ultrafast energy-efficient devices. However, distinguishing the microscopic processes that can occur during ultrafast laser excitation in magnetic alloys is challenging. Here, we study the Heusler compound Co2MnGa, a material that exhibits very strong light-induced spin transfers across the entire M-edge. By combining the element-specificity of extreme ultraviolet high harmonic probes with time-dependent density functional theory, we disentangle the competition between three ultrafast light-induced processes that occur in Co2MnGa: same-site Co-Co spin transfer, intersite Co-Mn spin transfer, and ultrafast spin-flips mediated by spin-orbit coupling. By measuring the dynamic magnetic asymmetry across the entire M-edges of the two magnetic sublattices involved, we uncover the relative dominance of these processes at different probe energy regions and times during the laser pulse. Our combined approach enables a comprehensive microscopic interpretation of laser-induced magnetization dynamics on timescales shorter than 100 fs., Comment: 31 pages, 12 figures

Kagome Materials with flat bands exhibit wildly different physical properties depending on symmetry group, and electron number. For the case of ScV$_6$Sn$_6$ in space group 191, we investigate the existence of a charge density wave (CDW) at vector $\bar{K}=(\frac{1}{3},\frac{1}{3},\frac{1}{3})$ and its relationship with the phonon behavior. The experimental findings reveal a $\sim$95K CDW without nesting/peaks in the electron susceptibility at $\bar{K}$. Notably, ScV$_6$Sn$_6$ exhibits a collapsed phonon mode at $H=(\frac{1}{3},\frac{1}{3},\frac{1}{2})$ and an imaginary flat phonon band in the vicinity of $H$. The soft phonon is attributed to triangular Sn ($Sn^T$) mirror-even vibrations along the $z$-direction. We develop a simple force constant model to describe the entire soft phonon dispersion. By employing a new (Gaussian) approximation of the hopping parameter, we demonstrate the renormalization of the phonon frequency and the consequent collapse of the $H$ phonon. Additionally, we propose an effective model with two order parameters (OPs) to explain the appearance of the CDW at $\bar{K}$, which competes with the collapsed phonon at $H$. Through comparisons with experimental data, we show that the $H$ OP undergoes a second-order phase transition while exhibiting substantial fluctuations, ultimately inducing the first-order transition of the $\bar{K}$ OP. Furthermore, we extend our analysis to the similar compound YV$_6$Sn$_6$, which lacks a CDW phase, attributing this difference to the participation of the heavier Y atom in the out-of-plane phonon behavior. Our comprehensive study not only elucidates the CDW in ScV$_6$Sn$_6$ but also presents a significant advancement in modeling complex electronic systems, fostering collaborations between ab-initio simulations and analytical approaches., Comment: 5+108 pages, 3+42 figures, previously submitted. See also the related experimental study arXiv:2304.09173