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The notion of topological insulators (TIs), characterized by an insulating bulk and conducting topological surface states, can be extended to higher-order topological insulators (HOTIs) hosting gapless modes localized at the boundaries of two or more dimensions lower than the insulating bulk1-5. In this work, by performing high-resolution angle-resolved photoemission spectroscopy (ARPES) measurements with submicron spatial and spin resolutions, we systematically investigate the electronic structure and spin texture of quasi-one-dimensional (1D) HOTI candidate Bi4Br4. In contrast to the bulk-state-dominant spectra on the (001) surface, we observe gapped surface states on the (100) surface, whose dispersion and spin-polarization agree well with our ab initio calculations. Moreover, we reveal in-gap states connecting the surface valence and conduction bands, which is an explicit signature of the existence of hinge states inside the (100) surface gap. Our findings provide compelling evidence for the HOTI phase of Bi4Br4. The identification of the higher-order topological phase will lay the promising prospect of applications based on 1D spin-momentum locked current in electronic and spintronic devices.

Simulating quantum spin systems at finite temperatures is an open challenge in many-body physics. This work studies the temperature-dependent spin dynamics of a pivotal compound, FeI$_2$, to determine if universal quantum effects can be accounted for by a phenomenological renormalization of the dynamical spin structure factor $S(\mathbf{q}, \omega)$ measured by inelastic neutron scattering. Renormalization schemes based on the quantum-to-classical correspondence principle are commonly applied at low temperatures to the harmonic oscillators describing normal modes. However, it is not clear how to extend this renormalization to arbitrarily high temperatures. Here we introduce a temperature-dependent normalization of the classical moments, whose magnitude is determined by imposing the quantum sum rule, i.e. $\int d\omega d\mathbf{q} S(\mathbf{q}, \omega) = N_S S (S+1)$ for $N_S$ dipolar magnetic moments. We show that this simple renormalization scheme significantly improves the agreement between the calculated and measured $S(\mathbf{q}, \omega)$ for FeI$_{2}$ at all temperatures. Due to the coupled dynamics of dipolar and quadrupolar moments in that material, this renormalization procedure is extended to classical theories based on SU(3) coherent states, and by extension, to any SU(N) coherent state representation of local multipolar moments., Comment: Associated source code for reproducing calculations available at: https://github.com/SunnySuite/SunnyContributed

(Quasi-)one-dimensional systems exhibit various fascinating properties such as Luttinger liquid behavior, Peierls transition, novel topological phases, and the accommodation of unique quasiparticles (e.g., spinon, holon, and soliton, etc.). Here we study molybdenum blue bronze A0.3MoO3 (A = K, Rb), a canonical quasi-one-dimensional charge-density-wave material, using laser-based angle-resolved photoemission spectroscopy. Our experiment suggests that the normal phase of A0.3MoO3 is a prototypical Luttinger liquid, from which the charge-density-wave emerges with decreasing temperature. Prominently, we observe strong renormalizations of band dispersions, which is recognized as the spectral function of Holstein polaron derived from band-selective electron-phonon coupling in the system. We argue that the strong electron-phonon coupling plays a dominant role in electronic properties and the charge-density-wave transition in blue bronzes. Our results not only reconcile the long-standing heavy debates on the electronic properties of blue bronzes but also provide a rare platform to study novel composite quasiparticles in Luttinger liquid materials., Comment: 19 pages, 4 figures, accepted by Nature Communications

Dirac semimetals (DSMs) are classified into different phases based on the types of the Dirac fermions. Tuning the transition among different types of the Dirac fermions in one system remains challenging. Recently, KMgBi was predicted to be located at a critical state that various types of Dirac fermions can be induced owing to the existence of a flat band. Here, we carried out systematic studies on the electronic structure of KMgBi single crystal by combining angle-resolve photoemission spectroscopy (ARPES) and scanning tunneling microscopy/spectroscopy (STM/STS). The flat band was clearly observed near the Fermi level. We also revealed a small bandgap of ~ 20 meV between the flat band and the conduction band. These results demonstrate the critical state of KMgBi that transitions among various types of Dirac fermions can be tuned in one system., Comment: 15 pages, 4 figures

Topological Weyl semimetals (TWSs) are exotic crystals possessing emergent relativistic Weyl fermions connected by unique surface Fermi-arcs (SFAs) in their electronic structures. To realize the TWS state, certain symmetry (such as the inversion or time reversal symmetry) must be broken, leading to a topological phase transition (TPT). Despite the great importance in understanding the formation of TWSs and their unusual properties, direct observation of such a TPT has been challenging. Here, using a recently discovered magnetic TWS Co3Sn2S2, we were able to systematically study its TPT with detailed temperature dependence of the electronic structures by angle-resolved photoemission spectroscopy. The TPT with drastic band structures evolution was clearly observed across the Curie temperature (TC = 177 K), including the disappearance of the characteristic SFAs and the recombination of the spin-split bands that leads to the annihilation of Weyl points with opposite chirality. These results not only reveal important insights on the interplay between the magnetism and band topology in TWSs, but also provide a new method to control their exotic physical properties., Comment: 15 pages, 4 figures

Topological materials host fascinating low dimensional gapless states at the boundary. As a prominent example, helical topological edge states (TESs) of two-dimensional topological insulators (2DTIs) and their stacked three-dimensional (3D) equivalent, weak topological insulators (WTIs), have sparked research enthusiasm due to their potential application in the next generation of electronics/spintronics with low dissipation. Here, we propose layered superconducting material CaSn as a WTI with nontrivial Z2 as well as nodal line semimetal protected by crystalline non-symmorphic symmetry. Our systematic angle-resolved photoemission spectroscopy (ARPES) investigation on the electronic structure exhibits excellent agreement with the calculation. Furthermore, scanning tunnelling microscopy/spectroscopy (STM/STS) at the surface step edge shows signatures of the expected TES. These integrated evidences from ARPES, STM/STS measurement and corresponding ab initio calculation strongly support the existence of TES in the non-symmorphic nodal line semimetal CaSn, which may become a versatile material platform to realize multiple exotic electronic states as well as topological superconductivity.

The interplay between topological electronic structure and superconductivity has attracted tremendous research interests recently as they could induce topological superconductivity (TSCs) which may be used to realize topological qubits for quantum computation. Among various TSC candidates, superconducting BaSn3 (Tc ~ 4.4 K) has been predicted to be a topological Dirac semimetal (TDS) hosting two pairs of Dirac points along the G - A direction. Here, by combining the use of angle-resolved photoemission spectroscopy and ab initio calculations, we identified the predicted topological Dirac fermions and confirmed the TDS nature of the compound. In addition, we observed surface states connecting the Dirac points. Our observations demonstrate BaSn3 as a superconductor with nontrivial topological electronic structures.

Topological superconductors (TSCs) are unconventional superconductors with bulk superconducting gap and in-gap Majorana states on the boundary that may be used as topological qubits for quantum computation. Despite their importance in both fundamental research and applications, natural TSCs are very rare. Here, combining state of the art synchrotron and laser-based angle-resolved photoemission spectroscopy, we investigated a stoichiometric transition metal dichalcogenide (TMD), 2M-WS2 with a superconducting transition temperature of 8.8 K (the highest among all TMDs in the natural form up to date) and observed distinctive topological surface states (TSSs). Furthermore, in the superconducting state, we found that the TSSs acquired a nodeless superconducting gap with similar magnitude as that of the bulk states. These discoveries not only evidence 2M-WS2 as an intrinsic TSC without the need of sensitive composition tuning or sophisticated heterostructures fabrication, but also provide an ideal platform for device applications thanks to its van der Waals layered structure., Comment: Accepted by Nature Communications

The spin-orbit coupling (SOC) lifts the band degeneracy that plays a vital role in the search for different topological states, such as topological insulators (TIs) and topological semimetals (TSMs). In TSMs, the SOC can partially gap a degenerate nodal line, leading to the formation of Dirac/Weyl semimetals (DSMs/WSMs). However, such SOC-induced gap structure along the nodal line in TSMs has not yet been systematically investigated experimentally. Here, we report a direct observation of such gap structure in a magnetic WSM Co3Sn2S2 using high resolution angle-resolved photoemission spectroscopy. Our results not only reveal the existence and importance of the strong SOC effect in the formation of the WSM phase in Co3Sn2S2, but also provide insights for the understanding of its exotic physical properties., Comment: 12 pages, 4 figures

The van der Waals ferromagnet Fe$_3$GeTe$_2$ has recently attracted extensive research attention due to its intertwined magnetic, electronic and topological properties. Here, using high-resolution angle-resolved photoemission spectroscopy, we systematically investigate the temperature evolution of the electronic structure of bulk Fe$_3$GeTe$_2$. We observe largely dispersive energy bands that are narrowed by a factor of 1.6 compared with ab-initio calculation. Upon heating towards the ferromagnetic transition near 225 K, we observe a massive reduction of quasiparticle coherence in a large energy range, which is attributed to the enhanced magnetic fluctuation in the system. Remarkably, the electron bands barely shift with increasing temperature, which deviates from the exchange splitting picture within the itinerant Stoner model. We argue that the local magnetic moments play a crucial role in the ferromagnetism of Fe$_3$GeTe$_2$, despite its strongly itinerant nature. Our results provide important insights into the electronic and magnetic properties of Fe$_3$GeTe$_2$ and shed light on the generic understanding of itinerant magnetism in correlated materials., Comment: 4 figures

Magnetic topological quantum materials (TQMs) provide a fertile ground for the emergence of fascinating topological magneto-electric effects. Recently, the discovery of intrinsic antiferromagnetic (AFM) topological insulator MnBi2Te4 that could realize quantized anomalous Hall effect and axion insulator phase ignited intensive study on this family of TQM compounds. Here, we investigated the AFM compound MnBi4Te7 where Bi2Te3 and MnBi2Te4 layers alternate to form a superlattice. Using spatial- and angle-resolved photoemission spectroscopy, we identified ubiquitous (albeit termination dependent) topological electronic structures from both Bi2Te3 and MnBi2Te4 terminations. Unexpectedly, while the bulk bands show strong temperature dependence correlated with the AFM transition, the topological surface states show little temperature dependence and remain gapless across the AFM transition. The detailed electronic structure of MnBi4Te7 and its temperature evolution, together with the results of its sister compound MnBi2Te4, will not only help understand the exotic properties of this family of magnetic TQMs, but also guide the design for possible applications., Comment: 22 pages, 4 figures

Weyl semimetals are crystalline solids that host emergent relativistic Weyl fermions and have characteristic surface Fermi-arcs in their electronic structure. Weyl semimetals with broken time reversal symmetry are difficult to identify unambiguously. In this work, using angle-resolved photoemission spectroscopy, we visualized the electronic structure of the ferromagnetic crystal Co3Sn2S2 and discovered its characteristic surface Fermi-arcs and linear bulk band dispersions across the Weyl points. These results establish Co3Sn2S2 as a magnetic Weyl semimetal that may serve as a platform for realizing phenomena such as chiral magnetic effects, unusually large anomalous Hall effect and quantum anomalous Hall effect., Comment: 15 pages, 4 figures

Topological quantum materials coupled with magnetism can provide a platform for realizing rich exotic physical phenomena, including quantum anomalous Hall effect, axion electrodynamics and Majorana fermions. However, these unusual effects typically require extreme experimental conditions such as ultralow temperature or sophisticate material growth and fabrication. Recently, new intrinsic magnetic topological insulators were proposed in MnBi2Te4-family compounds - on which rich topological effects could be realized under much relaxed experimental conditions. However, despite the exciting progresses, the detailed electronic structures observed in this family of compounds remain controversial up to date. Here, combining the use of synchrotron and laser light sources, we carried out comprehensive and high resolution angle-resolved photoemission spectroscopy studies on MnBi2Te4, and clearly identified its topological electronic structures including the characteristic gapless topological surface states. In addition, the temperature evolution of the energy bands clearly reveals their interplay with the magnetic phase transition by showing interesting differences for the bulk and surface states, respectively. The identification of the detailed electronic structures of MnBi2Te4 will not only help understand its exotic properties, but also pave the way for the design and realization of novel phenomena and applications., Comment: 18 pages, 4 figure

Within ab initio Quantum Monte Carlo simulations, the leading numerical cost for large systems is the computation of the values of the Slater determinants in the trial wavefunction. Each Monte Carlo step requires finding the determinant of a dense matrix. This is most commonly iteratively evaluated using a rank-1 Sherman-Morrison updating scheme to avoid repeated explicit calculation of the inverse. The overall computational cost is therefore formally cubic in the number of electrons or matrix size. To improve the numerical efficiency of this procedure, we propose a novel multiple rank delayed update scheme. This strategy enables probability evaluation with application of accepted moves to the matrices delayed until after a predetermined number of moves, K. The accepted events are then applied to the matrices en bloc with enhanced arithmetic intensity and computational efficiency via matrix-matrix operations instead of matrix-vector operations. This procedure does not change the underlying Monte Carlo sampling or its statistical efficiency. For calculations on large systems and algorithms such as diffusion Monte Carlo where the acceptance ratio is high, order of magnitude improvements in the update time can be obtained on both multi-core CPUs and GPUs.

Detailed neutron scattering measurements on the bond frustrated magnet ZnCr2S4 reveal a rich H-T phase diagram. The field dependence of the two subsequent antiferromagnetic transitions follows closely that of recently reported structural instabilities, providing further evidence for spin driven Jahn-Teller physics. The incommensurate helical ordered phase below TN1 = 15.5 K exhibits gapless spin wave excitations, whereas a spin wave gap (about 2 meV) opens below TN2 = 8 K as the system undergoes a first-order transition to a commensurate collinear ordered phase. The spin wave gap is closed by a strong magnetic field., Comment: 4 Pages, 4 Figures

Momentum resolved inelastic resonant x-ray scattering is used to map the evolution of charge excitations over a large range of energies, momenta and doping levels in the electron doped Mott insulator class Nd$_{2-x}$Ce$_x$CuO$_4$. As the doping induced AFM-SC (antiferromagnetic-superconducting) transition is approached, we observe an anisotropic softening of collective charge modes over a large energy scale along the Gamma to (\pi,\pi)-direction, whereas the modes exhibit broadening ($\sim$ 1 eV) with relatively little softening along Gamma to (\pi,0) with respect to the parent Mott insulator (x=0). Our study indicates a systematic collapse of the gap consistent with the scenario that the system dopes uniformly with electrons even though the softening of the modes involves an unusually large energy scale., Comment: 5 pages + 5 Figures

We present an angle-resolved photoemission study of Na0.7CoO2, the host cobaltate of the NaxCoO2.yH2O series. Our results show a large hexagonal-like hole-type Fermi surface, an extremely narrow strongly renormalized quasiparticle band and a small Fermi velocity. Along the Gamma to M high symmetry line, the quasiparticle band crosses the Fermi level from M toward Gamma consistent with a negative sign of effective single-particle hopping (t ): t is estimated to be about 8 meV which is on the order of exchange coupling J in this system. This suggests that t ~ J ~ 10 meV is an important energy scale in the system. Quasiparticles are well defined only in the T-linear resistivity regime. Small single particle hopping and unconventional quasiparticle dynamics may have implications for understanding the unusual behavior of this new class of compounds., Comment: Revised text, Added Figs, Submitted to PRL