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Applying strain to epitaxial thin films has proven to be an effective approach for controlling material properties, paving the way for "materials by design". In this study, we explore this concept in the context of topological Kagome antiferromagnets, which can exhibit a range of exotic magnetic states. One such material, Mn$_{3}$Sn, features a non-collinear yet coplanar inverse triangular spin order that lacks scalar spin chirality. By applying anisotropic strain to reduce the point group symmetry of the Kagome triangles from $C_{3v}$ to $C_{1}$, and utilizing the Dzyaloshinskii-Moriya interaction in epitaxial Mn$_{3}$Sn heterostructures, we achieve a canting of the manganese spins out of the Kagome plane. This newly induced magnetic state introduces a finite scalar spin chirality and results in a significant Berry phase in momentum space. Consequently, a large anomalous Hall effect emerges in the Kagome plane at room temperature, which can be fully controlled by charge current, enabling the realization of multiple-stable antiferromagnetic memory states., Comment: 13 pages, 5 figures

ATi$_3$Bi$_5$ (A = Cs or Rb) are emerging topological kagome metals that exhibit superconductivity and nematicity without intertwining translational symmetry-breaking charge orders. In this work, we explore the Fermionology of their titanium kagome electrons and identify a set of sublattice-pure, high-order van Hove singularities (VHSs) that can suppress charge ordering and enhance electronic correlations and superconductivity. Our calculations of charge susceptibility for kagome bands with both normal and high-order VHSs emphasize the role of these VHSs in driving electronic nematicity in CsTi$_3$Bi$_5$. Additionally, we compute the phonon spectrum and electron-phonon interactions for CsTi$_3$Bi$_5$ under pristine, doped, and kagome-exposed surface conditions, revealing its robustness against structural instabilities while enhancing the superconducting transition temperature. Our work positions ATi$_3$Bi$_5$ as a key platform for investigating superconductivity and electronic nematicity without translational symmetry-breaking states in kagome metals.

Extensive recent research on Lieb and kagome lattices highlights their unique physics characterized by the coexistence of Dirac points, van Hove singularities, and flat bands. In these models, flat bands are typically pinned at the center of the Lieb spectrum or the extrema of kagome bands, offering limited tunability. In this work, we investigate the square-octagon lattice and demonstrate that flat bands generated through next-nearest-neighbor (NNN) hoppings can be tuned with intercell hoppings or staggered magnetic fluxes. Importantly, the introduction of staggered magnetic fluxes leads to the emergence of a Chern insulator phase and a higher-order topological insulator (HOTI) state at half-filling. An appropriate magnetic flux combined with NNN hopping can generate topological flat bands in the Chern insulator phase, exhibiting nontrivial Chern number and chiral edge states. The HOTI phase, in contrast, is characterized by topological corner states with quantized quadrupole moment within the bulk and edge states gap. We also present phase diagrams for the square-octagon lattice as functions of NNN and intercell hoppings under staggered magnetic fluxes. Our results indicate that the square-octagon lattice offers a promising platform for realizing topological flat bands, HOTI, and other topological and nontopological phases., Comment: 8 pages, 7 figures

Taken together, time-reversal and spatial inversion symmetries impose a two-fold spin degeneracy of the electronic states in crystals. In centrosymmetric materials, this degeneracy can be lifted by introducing magnetism, either via an externally applied field or through internal magnetization. However, a correlated alignment of spins, even in the paramagnetic phase, can lift the spin degeneracy of electronic states. Here, we report an in-depth study of the electronic band structure of the Eu-ternary pnictide EuZn2Sb2 through a combination of high-resolution angle-resolved photoemission spectroscopy measurements and first principles calculations. An analysis of the photoemission lineshapes over a range of incident photon energies and sample temperatures is shown to reveal the presence of band spin degeneracy-lifting in the paramagnetic phase. Our ARPES results are in good agreement with theoretical ferromagnetic-phase calculations, which indicates the importance of ferromagnetic fluctuations in the system. Through our calculations, we predict that spin-polarized bands in EuZn2Sb2 generate a single pair of Weyl nodes. Our observation of band-splitting in EuZn2Sb2 provides a key step toward realizing time-reversal symmetry breaking physics in the absence of long-range magnetic order., Comment: 13 pages, 7 figures

In a PN junction, the separation between positive and negative charges leads to diode transport. In the past few years, the intrinsic diode transport in noncentrosymmetric polar conductors has attracted great interest, because it suggests novel nonlinear applications and provides a symmetry-sensitive probe of Fermi surface. Recently, such studies have been extended to noncentrosymmetric superconductors, realizing the superconducting diode effect. Here, we show that, even in a centrosymmetric crystal without directional charge separation, the spins of an antiferromagnet (AFM) can generate a spatial directionality, leading to an AFM diode effect. We observe large second-harmonic transport in a nonlinear electronic device enabled by the compensated AFM state of even-layered MnBi2Te4. We also report a novel electrical sum-frequency generation (SFG), which has been rarely explored in contrast to the well-known optical SFG in wide-gap insulators. We demonstrate that the AFM enables an in-plane field-effect transistor and harvesting of wireless electromagnetic energy. The electrical SFG establishes a powerful method to study nonlinear electronics built by quantum materials. The AFM diode effect paves the way for potential device concepts including AFM logic circuits, self-powered AFM spintronics, and other applications that potentially bridge nonlinear electronics with AFM spintronics., Comment: 33+8 pages, 14+2 figures. arXiv admin note: text overlap with arXiv:2306.09575

Symmetry-protected edge states serve as direct evidence of nontrivial electronic topology in atomically thin materials. Finding these states in experimentally realizable single-phase materials presents a substantial challenge for their use in fundamental studies and developing functional nanoscale devices. Here, we show the presence of robust edge states in phosphorene and group-Va monolayers with puckered lattice structures. By carefully analyzing the symmetry of the atomic sites and edge mode properties, we demonstrate that these atomically thin monolayers realize recently introduced obstructed atomic insulator states with partially occupied edge modes. The obstructed edge modes attain a Rashba-type spin splitting with Rashba parameter ($\alpha$) of 1.52 eV \r{A} for arsenene. Under strain or doping effects, these obstructed insulators transition to a phase with substantial spin-Berry curvature, yielding a double quantum spin Hall state with a spin Hall conductivity $\approx 4 \frac{e^2}{h}$. The experimental availability of phosphorene and other group-Va monolayers could enable verification of obstructed atomic states and enhanced spin-Berry curvature effects discussed in this study, offering the potential for applications in topological electronic and spintronic devices.

The family of transition metal dipnictides (TMDs) has been of theoretical and experimental interest because this family hosts topological states and extremely large magnetoresistance (MR). Recently, TaAs2, a member of this family, has been predicted to support a topological crystalline insulating state. Here, by using high resolution. Angle resolved photoemission spectroscopy (ARPES), we reveal both closed and open pockets in the metallic Fermi surface and linearly dispersive bands on the (201) surface, along with the presence of extreme MR observed from magneto-transport measurements. A comparison of the ARPES results with first-principles computations show that the linearly dispersive bands on the measured surface of TaAs2 are trivial bulk bands. The absence of symmetry-protected surface state on the (201) surface indicates its topologically dark nature. The presence of open Fermi surface features suggests that the open orbit fermiology could contribute to the extremely large MR of TaAs., Comment: 13 pages, 5 figures

We study the behavior of Dirac fermions in the presence of electron correlation in a nonsymmorphic Kondo lattice system, CeAgSb2 employing high-resolution angle-resolved photoemission spectroscopy and first-principles calculations. Experiments reveal crossings of highly dispersive linear bands at the Brillouin zone boundary due to non-symmorphic symmetry. In addition, anisotropic Dirac cones are observed constituted by the squarenet Sb 5p states forming a diamond-shaped nodal line. The Dirac bands are linear in a wide energy range with a unusually high slope and exhibit distinct Dirac point in this highly spin-orbit coupled system. Interestingly, the linearity of the bands are preserved even after the hybridization of these states with the local Ce 4f states, which leads to a small reduction of slope via formation of a 'kink'. These results seed the emergence of an area of robust topological fermions even in presence of strong correlation., Comment: 4 figures

Flat bands coupled with magnetism and topological orders near or at the Fermi level are well known to drive exotic correlation physics and unconventional superconductivity. Here, based on first-principles modeling combined with an in-depth symmetry analysis, we reveal the presence of topological flat bands involving low-energy Ni-$3d_{z^2}$ states in the recently discovered superconductor LaNiO$_{2}$. Our analysis demonstrates that LaNiO$_2$ is an Axion insulator with $\mathbb{Z}_{4} = 2$ and that it supports topological crystalline insulating states protected by the glide mirror symmetries. The topological flat bands in LaNiO$_{2}$ are also shown to host odd-parity superconductivity. Our study indicates that the nickelates would provide an interesting materials platform for exploring the interplay of flat bands, topological states, and superconductivity., Comment: 8, 3 figures, 1 table

In topological materials, shielding of bulk and surface states by crystalline symmetries has provided hitherto unknown access to electronic states in condensed matter physics. Interestingly, photo-excited carriers relax on an ultrafast timescale, demonstrating large transient mobility that could be harnessed for the development of ultrafast optoelectronic devices. In addition, these devices are much more effective than topologically trivial systems because topological states are resilient to the corresponding symmetry-invariant perturbations. By using optical pump probe measurements, we systematically describe the relaxation dynamics of a topologically nontrivial chiral single crystal, PtAl. Based on the experimental data on transient reflectivity and electronic structures, it has been found that the carrier relaxation process involves both acoustic and optical phonons with oscillation frequencies of 0.06 and 2.94 THz, respectively, in picosecond time scale. PtAl with a space group of $P$$2_{1}$3 allows only one non-zero susceptibility element i.e. $d_{14}$, in second harmonic generation (SHG) with a large value of 468(1) pm/V, which is significantly higher than that observed in standard GaAs(111) and ZnTe(110) crystals. The intensity dependence of the SHG signal in PtAl reveals a non-perturbative origin. The present study on PtAl provides deeper insight into topological states which will be useful for ultrafast optoelectronic devices., Comment: 10 pages, 5 figures

While the possibility of topological superconductivity (TSC) in hybrid heterostructures involving topologically nontrivial band structure and superconductors has been proposed, the realization of TSC in a single stoichiometric material is most desired for fundamental experimental investigation of TSC and its device applications. Bulk measurements on YRuB$_2$ detect a single superconducting gap of $\sim$ 1 meV. This is supported by our electronic structure calculations which also reveal the existence of topological surface states in the system. We performed surface-sensitive Andreev reflection spectroscopy on YRuB$_2$ and detected the bulk superconducting gap as well as another superconducting gap of $\sim$ 0.5 meV. From our analysis of electronic structure, we show that the smaller gap is formed in the topological surface states in YRuB$_2$ due to the proximity of the bulk superconducting condensate. Thus, in agreement with the past theoretical predictions, we present YRuB$_2$ as a unique system that hosts superconducting topological surface states., Comment: 18 pages, 13 figures and 2 tables

Topological superconductors present an ideal platform for exploring nontrivial superconductivity and realizing Majorana boundary modes in materials. However, finding a single-phase topological material with nontrivial superconducting states is a challenge. Here, we predict nontrivial superconductivity in the pristine chiral metal RhGe with a transition temperature of 5.8 K. Chiral symmetries in RhGe enforce multifold Weyl fermions at high-symmetry momentum points and spin-polarized Fermi arc states that span the whole surface Brillouin zone. These bulk and surface chiral states support multiple type-II van Hove singularities that enhance superconductivity in RhGe. Our detailed analysis of superconducting pairing symmetries involving Chiral Fermi pockets in RhGe, indicates the presence of nontrivial superconducting pairing. Our study establishes RhGe as a promising candidate material for hosting mixed-parity pairing and topological superconductivity., Comment: 7 pages, 4 figures

KZnBi was discovered recently as a new three-dimensional Dirac semimetal with a pair of bulk Dirac fermions in contrast to the $\mathbb{Z}_2$ trivial insulator reported earlier. In order to address this discrepancy, we have performed electronic structure and topological state analysis of KZnBi using the local, semilocal, and hybrid exchange-correlation (XC) functionals within the density functional theory framework. We find that various XC functionals, including the SCAN meta-GGA and hybrid functional with 25\% Hartree-Fock (HF) exchange (HSE06), resolve a topological nonsymmorphic insulator state with the glide-mirror protected hourglass surface Dirac fermions. By carefully tuning the XC strength in modified Becke-Johnson (mBJ) potential, we recover the correct orbital ordering and Dirac semimetal state of KZnBi. We further show that increasing the default HF exchange in hybrid functional ($> 40\%$) can also capture the desired Dirac semimetal state with the correct orbital ordering of KZnBi. The calculated energy dispersion and carrier velocities of Dirac states are found to be in excellent agreement with the available experimental results. Our results demonstrate that KZnBi is a unique topological material where large XC effects are crucial to producing the Dirac semimetal state.

Chirality, a fundamental structural property of crystals, can induce many unique topological quantum phenomena. In kagome lattice, unconventional transports have been reported under tantalizing chiral charge order. Here, we show how by deforming the kagome lattice to obtain a three-dimensional (3D) chiral kagome lattice in which the key band features of the non-chiral 2D kagome lattice - flat energy bands, van Hove singularities (VHSs), and degeneracies - remain robust in both the $k_z$ = 0 and $\pi$ planes in momentum space. Given the handedness of our kagome lattice, degenerate momentum points possess quantized Chern numbers, ushering in the realization of Weyl fermions. Our 3D chiral kagome lattice surprisingly exhibits 1D behavior on its surface, where topological surface Fermi arc states connecting Weyl fermions are dispersive in one momentum direction and flat in the other direction. These 1D Fermi arcs open up unique possibilities for generating unconventional non-local transport phenomena at the interfaces of domains with different handedness, and the associated enhanced conductance as the separation of the leads on the surface is increased. Employing first-principles calculations, we investigate in-depth the electronic and phononic structures of representative materials within the ten space groups that can support topological chiral kagome lattices. Our study opens a new research direction that integrates the advantages of structural chirality with those of a kagome lattice and thus provides a new materials platform for exploring unique aspects of correlated topological physics in chiral lattices., Comment: 7 pages, 4 figures

Quantum geometry - the geometry of electron Bloch wavefunctions - is central to modern condensed matter physics. Due to the quantum nature, quantum geometry has two parts, the real part quantum metric and the imaginary part Berry curvature. The studies of Berry curvature have led to countless breakthroughs, ranging from the quantum Hall effect in 2DEGs to the anomalous Hall effect (AHE) in ferromagnets. However, in contrast to Berry curvature, the quantum metric has rarely been explored. Here, we report a new nonlinear Hall effect induced by quantum metric by interfacing even-layered MnBi2Te4 (a PT-symmetric antiferromagnet (AFM)) with black phosphorus. This novel nonlinear Hall effect switches direction upon reversing the AFM spins and exhibits distinct scaling that suggests a non-dissipative nature. Like the AHE brought Berry curvature under the spotlight, our results open the door to discovering quantum metric responses. Moreover, we demonstrate that the AFM can harvest wireless electromagnetic energy via the new nonlinear Hall effect, therefore enabling intriguing applications that bridges nonlinear electronics with AFM spintronics., Comment: 19 pages, 4 figures and a Supplementary Materials with 66 pages, 4 figures and 3 tables. Originally submitted to Science on Oct. 5, 2022

Understanding the role of lattice geometry in shaping topological states and their properties is of fundamental importance to condensed matter and device physics. Here we demonstrate how an anisotropic crystal lattice drives a topological hybrid nodal line in transition metal tetraphosphides $Tm$P$_4$ ($Tm$ = Transition metal). $Tm$P$_4$ constitutes a unique class of black phosphorus materials formed by intercalating transition metal ions between the phosphorus layers without destroying the characteristic anisotropic band structure of the black phosphorous. Based on the first-principles calculations and $k \cdot p$ theory, we show that $Tm$P$_4$ harbor a single hybrid nodal line formed between oppositely-oriented anisotropic $Tm~d$ and P states unhinged from the high-symmetry planes. The nodal line consists of both type-I and type-II nodal band crossings whose nature and location are determined by the effective-mass anisotropies of the intersecting bands. We further discuss a possible topological phase transition to exemplify the formation of the hybrid nodal line state in $Tm$P$_4$. Our results offer a comprehensive study for understanding the interplay between structural motifs-driven mass anisotropies and topology in anisotropic lattice materials to realize hybrid semimetal states.

Temperature-dependent electronic and magnetic properties are reported for a Z2 topological metal single-crystalline nickel-deficient NiV$_2$Se$_4$. It is found to crystallize in the monoclinic Cr3S4 structure type with space group I2=m. From single-crystal x-ray diffraction, we find that there are vacancies on the Ni site, resulting in the composition Ni0:85V2Se4 in agreement with our electron-probe microanalysis. The electrical resistivity shows metallic behavior with a broad anomaly around 150{200 K that is also observed in the heat capacity data. This anomaly indicates a change of state of the material below 150 K. We believe that this anomaly could be due to spin fluctuations or charge-density-wave (CDW) fluctuations, where the lack of long-range order is caused by vacancies at the Ni site of Ni0:85V2Se4. Although we fail to observe any structural distortion in this crystal down to 1.5 K, its electronic and thermal properties are anomalous. The observation of non-linear temperature dependence of resistivity as well as an enhanced value of the Sommerfeld coefficient = 104.0(1) mJ/molK2 suggests strong electron-electron correlations in this material. The first-principles calculations performed for NiV$_2$Se$_4$, which are also applicable to Ni0:85V2Se4, classify this material as a topological metal with Z2 = (1; 110) and coexisting electron and hole pockets at the Fermi level. The phonon spectrum lacks any soft phonon mode, consistent with the absence of periodic lattice distortion in the present experiments., Comment: arXiv admin note: text overlap with arXiv:cond-mat/0610166 by other authors

Beyond the two-dimensional (2D) saddle-point Van Hove singularities (VHSs) with logarithmic divergences in the density of states (DOS), recent studies have identified higher-order VHSs with faster-than-logarithmic divergences that can amplify electron correlation effects. Here we show that the cuprate high-Tc superconductors harbor high-order VHSs in their electronic spectra and unveil a new correlation that the cuprates with high-order VHSs display higher Tc. Our analysis indicates that the normal and higher-order VHSs can provide a straightforward new marker for identifying propensity of a material toward the occurrence of correlated phases such as excitonic insulators and supermetals. Our study opens up a new materials playground for exploring the interplay between high-order VHSs, superconducting transition temperatures and electron correlation effects in the cuprates and related high-Tc superconductors., Comment: (7+8SM) pages, (4+5SM) figs. Paper 1 of revision of arXiv:2105.04546, submitted for publication 11/2/22

We discuss the evolution of high-order Van Hove singularities (hoVHSs) that carry faster-than logarithmic divergences over a wide range of parameters in cuprate-like electronic band dispersions. Numerical analysis gives insight into the quantization of the VHS power-law-exponent pV and into transitions between hoVHSs with different values of pV. The cuprates are found to lie in the parameter regime where the amplitude of the hoVHS is not too large. Our study indicates that the occurrence of high-temperature superconductivity requires simultaneous tuning of two different competing orders (antiferromagnetism and the density wave associated with the hoVHS in cuprates), which is why it is so rare., Comment: 6 pages, 6 figures. Paper 2 of revision of ArXiv:2105.04546, submitted for publication 11/10/22

Using circularly-polarized light to control quantum matter is a highly intriguing topic in physics, chemistry and biology. Previous studies have demonstrated helicity-dependent optical control of spatial chirality and magnetization $M$. The former is central for asymmetric synthesis in chemistry and homochirality in bio-molecules, while the latter is of great interest for ferromagnetic spintronics. In this paper, we report the surprising observation of helicity-dependent optical control of fully-compensated antiferromagnetic (AFM) order in 2D even-layered MnBi$_2$Te$_4$, a topological Axion insulator with neither chirality nor $M$. We further demonstrate helicity-dependent optical creation of AFM domain walls by double induction beams and the direct reversal of AFM domains by ultrafast pulses. The control and reversal of AFM domains and domain walls by light helicity have never been achieved in any fully-compensated AFM. To understand this optical control, we study a novel type of circular dichroism (CD) proportional to the AFM order, which only appears in reflection but is absent in transmission. We show that the optical control and CD both arise from the optical Axion electrodynamics, which can be visualized as a Berry curvature real space dipole. Our Axion induction provides the possibility to optically control a family of $\mathcal{PT}$-symmetric AFMs such as Cr$_2$O$_3$, CrI$_3$ and possibly novel states in cuprates. In MnBi$_2$Te$_4$, this further opens the door for optical writing of dissipationless circuit formed by topological edge states.

We report the magnetic and electronic transport properties of the inversion and time-reversal symmetry breaking Weyl semimetal NdAlGe. This material is analogous to NdAlSi, whose helical magnetism presents a rare example of a Weyl-mediated collective phenomenon, but with a larger spin-orbit coupling. Our neutron diffraction experiments revealed that NdAlGe, similar to NdAlSi, supports an incommensurate Ising spin density wave ($T_{\text{inc}}=6.8$ K) with a small helical spin canting of 3$^\circ$ and a long-wavelength of $\sim$ 35 nm, which transitions to a commensurate ferrimagnetic state below $T_{\text{com}}=5.1$ K. Using small-angle neutron scattering, we showed that the zero-field cooled ferrimagnetic domains form stripes in real space with characteristic length scales of 18 nm and 72 nm parallel and perpendicular to the [110] direction, respectively. Interestingly, for the transport properties, NdAlSi does not exhibit an anomalous Hall effect (AHE) that is commonly observed in magnetic Weyl semimetals. In contrast to NdAlSi, we identify two different AHE regimes in NdAlGe that are respectively governed by intrinsic Berry curvature and extrinsic disorders/spin fluctuations. Our study suggests that Weyl-mediated magnetism prevails in this group of noncentrosymmetric magnetic Weyl semimetals NdAl$X$, but transport properties including AHE are affected by material-specific extrinsic effects such as disorders, despite the presence of prominent Berry curvature., Comment: Preprint, 16 pages, 6 main figures, 6 supplementary figures

Large intrinsic anomalous Hall effect (AHE) due to the Berry curvature in magnetic topological semimetals is attracting enormous interest due to its fundamental importance and technological relevance. Mechanisms resulting in large intrinsic AHE include diverging Berry curvature in Weyl semimetals, anticrossing nodal rings or points of non-trivial bands, and noncollinear spin structures. Here we show that a half-topological semimetal (HTS) state near a topological critical point can provide a new mechanism for driving an exceptionally large AHE. We reveal this through a systematic experimental and theoretical study of the antiferromagnetic (AFM) half-Heusler compound TbPdBi. We not only observed an unusual AHE with a surprisingly large anomalous Hall angle {\Theta}H (tan {\Theta}H ~ 2, the largest among the antiferromagnets) in its field-driven ferromagnetic (FM) phase, but also found a distinct Hall resistivity peak in the canted AFM phase within a low field range, where its isothermal magnetization is nearly linearly dependent on the field. Moreover, we observed a nearly isotropic, giant negative magnetoresistance with a magnitude of ~98%. Our in-depth theoretical modelling demonstrates that these exotic transport properties originate from the HTS state. A minimal Berry curvature cancellation between the trivial spin-up and nontrivial spin-down bands results not only in an extremely large AHE, but it also enhances the spin polarization of the spin-down bands substantially and thus leads to a giant negative magnetoresistance. Our study advances the understanding of the interplay between band topology and magnetism and offers new clues for materials design for spintronics and other applications.

Realization of topologically protected quantum states leads to unprecedented opportunities for fundamental science and device applications. Here, we demonstrate the coexistence of multiple topological phononic states and calculate the associated thermoelectric properties of a chalcopyrite material CdGeAs$_2$ using first-principles theoretical modeling. CdGeAs$_{2}$ is a direct bandgap semiconductor with a bandgap of $0.65$ eV. By analysing the phonon spectrum and associated symmetries, we show the presence of nearly isolated Weyl, nodal line, and threefold band crossings in CdGeAs$_2$. Specifically, the two triply degenerate points (TDPs) identified on the $k_{z}$ axis are formed by the optical phonons bands 7, 8, and 9 with type-II energy dispersion. These TDPs form a time reversal pair and are connected by a straight nodal line with zero Berry phase. The TDPs formed between bands 14, 15, and 16 exhibit type-I crossings and are connected through the open straight nodal line. Our transport calculations show a large thermopower exceeding $\sim$500 and $200$ $\rm \mu V/K$ for the hole and electron carriers, respectively, above 500 K with a carrier doping of 10$^{18}$ cm$^{-3}$. The large thermopower in $p$-type CdGeAs$_{2}$ is a consequence of the sharp density of states appear from the presence of a heavy hole band at the $\Gamma$ point. We argue that the presence of topological states in the phonon bands could lead to low lattice thermal conductivity and drive a high figure-of-merit in CdGeAs$_{2}$.

Spin-polarized conducting edge currents counterpropagate in quantum spin Hall (QSH) insulators and are protected against disorder-driven localizations by the time-reversal symmetry. Using these spin-currents for device applications require materials having large band gap and fast switchable QSH states. By means of in-depth first-principles calculations, we demonstrate the large band gap and fast switchable QSH state in a newly introduced two-dimensional (2D) material family with 1T$^\prime$-MGe$_2$Z$_4$ (M = Mo or W and Z = P or As). The thermodynamically stable 1T$^\prime$-MoGe$_2$Z$_4$ monolayers have a large energy gap around $\sim$237 meV. These materials undergo a phase transition from a QSH insulator to a trivial insulator with a Rashba-like spin splitting under the influence of an out-of-plane electric field, demonstrating the tunability of the band gap and its band topology. Fast topological phase switching in a large gap 1T$^\prime$-MoGe$_2$Z$_4$ QSH insulators has potential applications in low-power devices, quantum computation, and quantum communication.

We study theoretically the interplay between magnetism and topology in three-dimensional HgTe/MnTe superlattices stacked along the (001) axis. Our results show the evolution of the magnetic topological phases with respect to the magnetic configurations. An axion insulator phase is observed for the antiferromagnetic order with the out-of-plane N\'eel vector direction below a critical thickness of MnTe, which is the ground state amongst all magnetic configurations. Defining $T$ as the time-reversal symmetry, this axion insulator phase is protected by a magnetic two-fold rotational symmetry $C_2{\cdot}T$. The axion insulator phase evolves into a trivial insulator as we increase the thickness of the magnetic layers. By switching the N\'eel vector direction into the $ab$ plane, the system realizes different antiferromagnetic topological insulators depending on the thickness of MnTe. These phases feature gapless surface Dirac cones shifted away from high-symmetry points on surfaces perpendicular to the N\'eel vector direction of the magnetic layers. In the presence of ferromagnetism, the system realizes a magnetic Weyl semimetal and a ferromagnetic semimetal for out-of-plane and in-plane magnetization directions, respectively. We observe large anomalous Hall conductivity in the presence of ferromagnetism in the three-dimensional superlattice., Comment: 14 pages, 13 figures

Ho2Ir3Si5 belongs to the family of three-dimensional (3D) R2Ir3Si5 (R = Lu, Er and Ho) compounds that exhibit a colossal first-order charge density wave (CDW) transition where there is a strong orthorhombic-to-triclinic distortion of the lattice accompanied by superlattice reflections. The analysis by single-crystal X-ray diffraction (SXRD) has revealed that the Ir-Ir zigzag chains along c are responsible for the CDW in all three compounds. The replacement of the rare earth element from non-magnetic Lu to magnetic Er or Ho lowers TCDW, where TCDWLu = 200 K, TCDWEr = 150 K and TCDWHo = 90 K. Out of the three compounds, Ho2Ir3Si5 is the only system where second-order superlattice reflections could be observed, indicative of an anharmonic shape of the modulation wave. The CDW transition is observed as anomalies in the temperature dependencies of the specific heat, electrical conductivity and magnetic susceptibility, which includes a large hysteresis of 90 to 130 K for all measured properties, thus corroborating the SXRD measurements. Similar to previously reported Er2Ir3Si5, there appears to be a coupling between CDW and magnetism such that the Ho3+ magnetic moments are influenced by the CDW transition, even in the paramagnetic state. Moreover, earlier investigations on polycrystalline material revealed antiferromagnetic (AFM) ordering at TN = 5.1 K, whereas AFM order is suppressed and only the CDW is present in our highly ordered single-crystal. First-principles calculations predict Ho2Ir3Si5 to be a metal with coexisting electron and hole pockets at the Fermi level. The Ho and Ir atoms have spherically symmetric metallic-type charge density distributions that are prone to CDW distortion. Phonon calculations affirm that the Ir atoms are primarily responsible for the CDW distortion, which is in agreement with the experiment.

We report the anomalous Hall effect (AHE) and the anomalous Nernst effect (ANE) data for the non-collinear Weyl semimetal CeAlSi. The anomalous Hall conductivity ({\sigma}_ij^A) was measured for two different orientations of the magnetic field (B), namely {\sigma}_yz^A for B II a and {\sigma}_xy^A for B II c, where a and c denote the crystallographic axes. We find that {\sigma}_xy^A and {\sigma}_yz^A are of opposite sign and both are large below the Curie temperature (T_C). In the paramagnetic phase, {\sigma}_xy^A raises even more and goes through a maximum at T ~ 170 K, whereas the absolute value of {\sigma}_yz^A decreases with increasing temperature. The origin of the sign difference between {\sigma}_xy^A and {\sigma}_yz^A was attributed to the reconstruction of the band structure under the variation of the spin orientation. Further, in a system where humps in the AHE are present and scalar spin chirality is zero, we show that the k-space topology plays an important role to determine the transport properties at both low and high temperatures. We also observed the anomalous contribution in the Nernst conductivity ({\alpha}_xy^A) measured for B II c. {\alpha}_xy^A/T turns out to be sizeable in the magnetic phase and above T_C slowly decreases with temperature. We were able to recreate the temperature dependences of {\sigma}_xy^A and {\alpha}_xy^A/T in the paramagnetic phase using a single band toy-model assuming a non-zero Berry curvature in the vicinity of the Weyl node. A decisive factor appears to be a small energy distance between the Fermi level and a Weyl point., Comment: 37 pages, 11 figures

The role of lattice dynamics in unconventional high-temperature superconductivity is still vigorously debated. Theoretical insights into this problem have long been prevented by the absence of an accurate first-principles description of the combined electronic, magnetic, and lattice degrees of freedom. Utilizing the recently constructed r$^2$SCAN density functional that stabilizes the antiferromagnetic (AFM) state of the pristine oxide YBa$_2$Cu$_3$O$_6$, we faithfully reproduce the experimental dispersion of key phonon modes. We further find significant magnetoelastic coupling in numerous high energy Cu-O bond stretching optical branches, where the AFM results improve over the soft non-magnetic phonon bands.

Quantum spin Hall (QSH) insulators exhibit spin-polarized conducting edge states that are topologically protected from backscattering and offer unique opportunities for addressing fundamental science questions and device applications. Finding viable materials that host such topological states, however, remains a challenge. Here by using in-depth first-principles theoretical modeling, we predict large bandgap QSH insulators in recently bottom-up synthesized two-dimensional (2D) MSi$_2$Z$_4$ (M = Mo or W and Z = P or As) materials family with $1T^\prime$ structure. A structural distortion in the $2H$ phase drives a band inversion between the metal (Mo/W) $d$ and $p$ states of P/As to realize spinless Dirac cone states without spin-orbit coupling. When spin-orbit coupling is included, a hybridization gap as large as $\sim 204$ meV opens up at the band crossing points, realizing spin-polarized conducting edge states with nearly quantized spin Hall conductivity. We also show that the inverted band gap is tunable with a vertical electric field which drives a topological phase transition from the QSH to a trivial insulator with Rashba-like edge states. Our study identifies 2D MSi$_2$Z$_4$ materials family with $1T^\prime$ structure as large bandgap, tunable QSH insulators with protected spin-polarized edge states and large spin-Hall conductivity., Comment: 7 Pages, 6 Figures, SM is not included

Reduced dielectric screening in two-dimensional materials enables bound excitons, which modifies their optical absorption and optoelectronic response even at room temperature. Here, we demonstrate the existence of excitons in the bandgap of the monolayer family of the newly discovered synthetic MoSi$_2$Z$_4$ (Z = N, P, and As) series of materials. All three monolayers support several bright and strongly bound excitons with binding energies varying from 1 eV to 1.35 eV for the lowest energy exciton resonances. On increasing the pump fluence, the exciton binding energies get renormalized, leading to a redshift-blueshift crossover. Our study shows that the MoSi$_2$Z$_4$ series of monolayers offer an exciting test-bed for exploring the physics of strongly bound excitons and their non-equilibrium dynamics., Comment: 10 pages, 5 figures, 2 tables. Comments and suggestions are most welcome

Understanding similarities and differences between the cuprate and nickelate superconductors is drawing intense current interest. Competing charge orders have been observed recently in the $undoped$ infinite-layer nickelates in sharp contrast to the $undoped$ cuprates which exhibit robust antiferromagnetic insulating ground states. The microscopic mechanisms driving these differences remain unclear. Here, using in-depth first-principles and many-body theory based modeling, we show that the parent compound of the nickelate family, LaNiO$_2$, hosts a charge density wave (CDW) ground state with the predicted wavevectors in accord with the corresponding experimental findings. The CDW ground state is shown to be connected to a multi-orbital Peierls distortion. Our study points to the key role of electron-phonon coupling effects in the infinite-layer nickelates., Comment: 8 pages, 4 figures

Weyl electrons are intensely studied due to novel charge transport phenomena such as chiral anomaly, Fermi arcs, and photogalvanic effect. Recent theoretical works suggest that Weyl electrons can also participate in magnetic interactions, and the Weyl-mediated indirect exchange coupling between local moments is proposed as a new mechanism of spiral magnetism that involves chiral electrons. Despite reports of incommensurate and non-collinear magnetic ordering in Weyl semimetals, an actual spiral order has remained hitherto undetected. Here, we present evidence of Weyl-mediated spiral magnetism in SmAlSi from neutron diffraction, transport, and thermodynamic data. We show that the spiral order in SmAlSi results from the nesting between topologically non-trivial Fermi pockets and weak magnetocrystalline anisotropy, unlike related materials (Ce,Pr,Nd)AlSi, where a strong anisotropy prevents the spins from freely rotating. We map the magnetic phase diagram of SmAlSi and reveal an A-phase where topological magnetic excitations may exist. This is corroborated by the observation of a topological Hall effect within the A-phase., Comment: 7 pages, 4 figures

Symmetry-protected non-trivial states in chiral topological materials hold immense potential for fundamental science and technological advances. Here, we report electrical transport, quantum oscillations, and electronic structure results of a single crystal of chiral quantum material $\rm PtAl$. Based on the de Haas-van Alphen (dHvA) oscillations, we show that the smallest Fermi pocket ($\alpha$) possesses a non-trivial Berry phase $1.16$$\pi$. The band associated with this Fermi pocket carries a linear energy dispersion over a substantial energy window of $\sim$700 meV that is further consistent with the calculated optical conductivity. First-principles calculations unfold that $\rm PtAl$ is a higher-fold chiral fermion semimetal where structural chirality drives the chiral fermions to lie at the high-symmetry $\Gamma$ and $R$ points of the cubic Brillouin zone. In the absence of spin-orbit coupling, the band crossings at $\Gamma$ and $\rm R$ points are three- and four-fold degenerate with a chiral charge of $-2$ and $+2$, respectively. The inclusion of spin-orbit coupling transforms these crossing points into four- and six-fold degenerate points with a chiral charge of $-4$ and $+4$. Nontrivial surface states on the $(001)$ plane connect the bulk projected chiral points through the long helical Fermi arcs that spread over the entire Brillouin zone.

Recent classification efforts encompassing crystalline symmetries have revealed rich possibilities for solid-state systems to support a tapestry of exotic topological states. However, finding materials that realize such states remains a daunting challenge. Here we show how the interplay of topology, symmetry, and magnetism combined with doping and external electric and magnetic field controls can be used to drive the previously unreported SrIn$_2$As$_2$ materials family into a variety of topological phases. Our first-principles calculations and symmetry analysis reveal that SrIn$_2$As$_2$ is a dual topological insulator with $Z_2=(1;000)$ and mirror Chern number $C_M= -1$. Its isostructural and isovalent antiferromagnetic cousin EuIn$_2$As$_2$ is found to be an axion insulator with $Z_4= 2$. The broken time-reversal symmetry via Eu doping in Sr$_{1-x}$Eu$_x$In$_2$As$_2$ results in a higher-order or topological crystalline insulator state depending on the orientation of the magnetic easy axis. We also find that antiferromagnetic EuIn$_2$P$_2$ is a trivial insulator with $Z_4= 0$, and that it undergoes a magnetic field-driven transition to an ideal Weyl fermion or nodal fermion state with $Z_4= 1$ with applied magnetic field. Our study identifies Sr$_{1-x}$Eu$_x$In$_2$(As, P)$_2$ as a new tunable materials platform for investigating the physics and applications of Weyl and nodal fermions in the scaffolding of crystalline and axion insulator states., Comment: 8 Pages, 4 Figures, SM not included

The rare-earth monopnictide (REM) family, which hosts magnetic ground states with extreme magnetoresistance, has established itself as a fruitful playground for the discovery of interesting topological phases. Here, by using high-resolution angle-resolved photoemission spectroscopy complemented by first-principles density functional-theory based modeling, we examine the evolution of the electronic structure of the candidate REM Dirac semimetal NdSb across the magnetic transition. A complex angel-wing-like band structure near the zone center and three arc-like features at the zone corner have been observed. This dramatic reconstruction of the itinerant bands around the zone center is shown to be driven by the magnetic transition: Specifically,, the Nd 5d electron band backfolds at the Gamma point and hybridizes with the Sb 5p hole bands in the antiferromagnetic phase. Our study indicates that antiferromagnetism plays an intricate role in the electronic structure of the REM family., Comment: 13 pages, 13 figures; Supplemental Materials included

Weyl semimetal (WSM), a novel state of quantum matter, hosts Weyl fermions as emergent quasiparticles resulting from the breaking of either inversion or time-reversal symmetry. Magnetic WSMs that arise from broken time-reversal symmetry provide an exceptional platform to understand the interplay between magnetic order and Weyl physics, but few WSMs have been realized. Here, we identify CeAlSi as a new non-centrosymmetric magnetic WSM via angle-resolved photoemission spectroscopy (ARPES) and first-principles, density-functional theory based calculations. Our surface-sensitive vacuum ultraviolet ARPES data confirms the presence of surface Fermi arcs as, the smoking gun evidence for the existence of the Weyl semimetallic state in CeAlSi. We also observe bulk Weyl cones in CeAlSi using bulk-sensitive soft-X-ray ARPES measurements. In addition, Ce 4f at bands are found near the Fermi level, indicating that CeAlSi is a unique platform for investigating exotic quantum phenomena resulting from the interaction of topology, magnetism and electronic correlations., Comment: 12 pages, 4 figures; supplementary information included

Plasmonics in topological semimetals offers exciting opportunities for fundamental physics exploration as well as for technological applications. Here, we investigate plasmons in the exemplar chiral crystal CoSi, which hosts a variety of multifold fermionic excitations. We show that CoSi hosts two distinct plasmon modes in the infrared regime at 0.1 eV and 1.1 eV in the long-wavelength limit. The 0.1 eV plasmon is found to be highly dispersive, and originates from intraband collective oscillations associated with a double spin-1 excitation, while the 1.1 eV plasmon is dispersionless and it involves interband correlations. Both plasmon modes lie outside the particle-hole continuum and possess long lifetime. Our study indicates that the CoSi class of materials will provide an interesting materials platform for exploring fundamental and technological aspects of topological plasmonics.

EuAl4 possesses the BaAl4 crystal structure type with tetragonal symmetry I4/mmm. It undergoes a charge-density-wave (CDW) transition at TCDW = 145 K and it features four consecutive antiferromagnetic phase transitions below 16 K. Here, we use single-crystal x-ray diffraction to determine incommensurately modulated crystal structure of EuAl4 in its CDW state. The CDW is shown to be incommensurate with modulation wave vector q = (0, 0, 0.1781(3)) at 70 K. The symmetry of the incommensurately modulated crystal structure is orthorhombic with superspace group Fmmm(00{\sigma})s00, where Fmmm is a subgroup of I4/mmm of index 2. Both the lattice and the atomic coordinates of the basic structure remain tetragonal. Symmetry breaking is entirely due to the modulation wave, where atoms Eu and Al1 have displacements exclusively along a, while the fourfold rotation would require equal displacement amplitudes along a and b. The calculated band structure of the basic structure and interatomic distances in the modulated crystal structure both indicate the aluminum atoms as location of the CDW. The temperature dependence of the specific heat reveals an anomaly at TCDW = 145 K of a magnitude similar to canonical CDW systems. The present discovery of orthorhombic symmetry for the CDW state of EuAl4 leads to the suggestion of monoclinic instead of orthorhombic symmetry for the third AFM state.

In search of materials with three-dimensional flat band dispersions, using {\em ab-initio} computations, we investigate how topological phases evolve as a function of hydrostatic pressure and uniaxial strain in two types of superlattices: HgTe/CdTe and HgTe/HgSe. In short-period HgTe/CdTe superlattices, our analysis unveils the presence of isoenergetic nodal lines, which could host strain-induced three-dimensional flat bands at the Fermi level without requiring doping, when fabricated, for instance, as core-shell nanowires. In contrast, HgTe/HgSe short-period superlattices are found to harbor a rich phase diagram with a plethora of topological phases. Notably, the unstrained superlattice realizes an ideal Weyl semimetal with Weyl points situated at the Fermi level. A small-gap topological insulator with multiple band inversions can be obtained by tuning the volume: under compressive uniaxial strain, the material transitions sequentially into a Dirac semimetal to a nodal-line semimetal, and finally into a topological insulator with a single band inversion., Comment: 19 pages, 16 figures. Paper accepted in Physical Review Research

Quantum oscillations in both linear and Hall resistivities and weak antilocalization (WAL) are barely observed in bulk single crystals. Here we report the transport properties of a CaCuSb single crystal that crystallizes in the hexagonal crystal structure. The magnetotransport studies reveal WAL and Shubnikov-de Haas (SdH) quantum oscillations with a unique frequency at 314 T. A cusp-like behavior in the low field regime of magnetotransport for J // (ab)-plane and B // [0001] confirms the WAL in CaCuSb. Angular-dependent normalized magnetoconductance and SdH oscillations studies reveal that the observed phenomena originate from the 2D transport channels. The high magnetic field (up to 45 T) experiments demonstrate plateau-like features in the Hall measurements. The first-principles calculations unfold that CaCuSb is a non-topological semimetal with dominant hole carries at the Fermi level. Our study reveals that CaCuSb is a promising candidate to explore the quasi-2D quantum transport phenomenon in the transition metal pnictide materials.

Magnetic ordering in topological insulators (TI) is crucial for breaking time-reversal symmetry (TRS) and thereby opening a gap in the topological surface states (TSSs) [1-6], which is the key for realizing useful topological properties such as the quantum anomalous Hall (QAH) effect, axion insulator state and the topological magnetoelectric effect. Combining TIs with magnetic materials can be expected to yield interfaces [26-28] with unique topological and magnetic phases but such interfaces largely remain unexplored. Here, we report the discovery of a novel antiferromagnetic (AFM) Van der Waals (VdW) phase at the interface of a sputtered c-axis oriented TI/FM (Bi2Te3/Ni80Fe20) heterostructure due to the formation of a Ni-intercalated Bi2Te3 VdW interfacial layer. The TI/FM heterostructure is shown to possess a significant spontaneous exchange bias and the presence of an AFM order at the interface via measurements of the hysteresis loop as well as the observation of compensated magnetic moments at the interface using polarized neutron reflectometry (PNR). An in-depth analysis of the structural and chemical properties of the interfacial AFM phase was carried out using selected area electron diffraction (SAED), electron energy loss spectroscopy (EELS), and X-ray photoelectron spectroscopy (XPS). These studies show evidence of solid-state reaction between the intercalated Ni atoms and Bi2Te3 layers and of the formation of topologically nontrivial magnetic VdW compounds. The N\'eel temperature of the interfacial AFM phase is 63 K, which is higher than that of typical magnetic topological insulators [53]. Our study shows how industrial CMOS-process-compatible sputtered TI/FM heterostructures can provide a novel materials platform for exploring the emergence of interfacial topological magnetic phases and high-temperature topological magnetic states., Comment: 23 pages, 4 figures

We studied the behavior of nontrivial Dirac fermion states in an antiferromagnetic metal SmBi using angle-resolved photoemission spectroscopy (ARPES). The experimental results exhibit multiple Fermi pockets around $\overline{\Gamma}$ and $\overline{M}$ points along with a band inversion in the spectrum along the $\overline{\Gamma}$-$\overline{M}$ line consistent with the density functional theory results. In addition, ARPES data reveal Dirac cones at $\overline{\Gamma}$ and $\overline{M}$ points within the energy gap of the bulk bands. The Dirac cone at $\overline{M}$ exhibit a distinct Dirac point and is intense in the high photon energy data while the Dirac cone at $\overline{\Gamma}$ is intense at low photon energies. Employing ultra-high-resolution ARPES, we discover destruction of a Fermi surface constituted by the surface states across the Ne\'{e}l temperature of 9 K. Interestingly, the Dirac cone at $\overline{\Gamma}$ is found to be gapped at 15 K and the behavior remains similar across the magnetic transition. These results reveal complex momentum dependent gap formation and fermi surface destruction across magnetic transition in an exotic correlated topological material; the interplay between magnetism and topology in this system calls for ideas beyond existing theoretical models., Comment: 5 figures

A charge density wave (CDW) of a nonzero ordering vector $\mathbf{q}$ couple electronic states at $\mathbf{k}$ and $\mathbf{k}+\mathbf{q}$ statically, giving rise to a reduced Brillouin zone (RBZ) due to the band folding effect. Its structure, in terms of an irreducible representation of the little group of $\mathbf{q}$, would change the symmetry of the system and electronic structure accompanying possible change of band inversion, offering a chance of the topological phase transition. Monolayer 1\textit{T}-TiSe$_2$ is investigated for it shows an unconventional CDW phase having a triple-$q$ $M_1^-$ structure. Moreover, the coupling between the triple-$q$ component of the $M_1^-$ CDW will inevitably produce a small $M_1^+$ CDW. The CDW yields a band inversion in 1\textit{T}-TiSe$_2$ but different types of CDW can affect the electronic structure and system topology differently. The impact of CDW of different types was studied by utilizing a symmetrization-antisymmetrization technique to extract the $M_1^-$ and $M_1^+$ CDW contributions in the DFT-based tight-binding model and study their effects. The results are consistent with the parity consideration, improving understanding of topology for a CDW system with and without parity., Comment: 8 pages, 6 figures. Accepted by New. J. Phys

While ferromagnets have been known and exploited for millennia, antiferromagnets (AFMs) were only discovered in the 1930s. The elusive nature indicates AFMs' unique properties: At large scale, due to the absence of global magnetization, AFMs may appear to behave like any non-magnetic material; However, such a seemingly mundane macroscopic magnetic property is highly nontrivial at microscopic level, where opposite spin alignment within the AFM unit cell forms a rich internal structure. In topological AFMs, such an internal structure leads to a new possibility, where topology and Berry phase can acquire distinct spatial textures. Here, we study this exciting possibility in an AFM Axion insulator, even-layered MnBi$_2$Te$_4$ flakes, where spatial degrees of freedom correspond to different layers. Remarkably, we report the observation of a new type of Hall effect, the layer Hall effect, where electrons from the top and bottom layers spontaneously deflect in opposite directions. Specifically, under no net electric field, even-layered MnBi$_2$Te$_4$ shows no anomalous Hall effect (AHE); However, applying an electric field isolates the response from one layer and leads to the surprising emergence of a large layer-polarized AHE (~50%$\frac{e^2}{h}$). Such a layer Hall effect uncovers a highly rare layer-locked Berry curvature, which serves as a unique character of the space-time $\mathcal{PT}$-symmetric AFM topological insulator state. Moreover, we found that the layer-locked Berry curvature can be manipulated by the Axion field, E$\cdot$B, which drives the system between the opposite AFM states. Our results achieve previously unavailable pathways to detect and manipulate the rich internal spatial structure of fully-compensated topological AFMs. The layer-locked Berry curvature represents a first step towards spatial engineering of Berry phase, such as through layer-specific moir\'e potential., Comment: A revised version of this article is published in Nature

Discovery of topologically protected surface states, believed to be immune to weak disorder and thermal effects, opened up a new avenue to reveal exotic fundamental science and advanced technology. While time-reversal symmetry plays the key role in most such materials, the bulk crystalline symmetries such as mirror symmetry preserve the topological properties of topological crystalline insulators (TCIs). It is apparent that any structural change may alter the topological properties of TCIs. To investigate this relatively unexplored landscape, we study the temperature evolution of the Dirac fermion states in an archetypical mirror-symmetry protected TCI, SnTe employing high-resolution angle-resolved photoemission spectroscopy and density functional theory studies. Experimental results reveal a perplexing scenario; the bulk bands observed at 22 K move nearer to the Fermi level at 60 K and again shift back to higher binding energies at 120 K. The slope of the surface Dirac bands at 22 K becomes smaller at 60 K and changes back to a larger value at 120 K. Our results from the first-principles calculations suggest that these anomalies can be attributed to the evolution of the hybridization physics with complex structural changes induced by temperature. In addition, we discover drastically reduced intensity of the Dirac states at the Fermi level at high temperatures may be due to complex evolution of anharmonicity, strain, etc. These results address robustness of the topologically protected surface states due to thermal effects and emphasize importance of covalency and anharmonicity in the topological properties of such emerging quantum materials., Comment: 4 figures

The non-trivial magnetic texture in real space gives rise to the intriguing phenomenon of topological Hall effect (THE), which is relatively less explored in topological semimetals. Here, we report large THE in the antiferromagnetic (AFM) state in single crystals of EuAgAs, an AFM Dirac semimetal. EuAgAs hosts AFM ground state below $T_N$ = 12 K with a weak ferromagnetic component. The in-plane isothermal magnetization below $T_N$ exhibits a weak metamagnetic transition. We also observe chiral anomaly induced positive longitudinal magnetoconductivity which indicates a Weyl fermion state under applied magnetic field. The first-principles calculations reveal that EuAgAs is an AFM Dirac semimetal with a pair of Dirac cones, and therefore, a Weyl semimetailic state can be realized under time-reversal symmetry breaking via an applied magnetic field. Our study establishes that EuAgAs is a novel system for exploiting the interplay of band topology and the topology of the magnetic texture., Comment: Accepted for publication in Phys. Rev. B as a Letter

Two-dimensional (2D) Van Hove singularities (VHSs) associated with the saddle points or extrema of the energy dispersion usually show logarithmic divergences in the density of states (DOS). However, recent studies find that the VHSs originating from higher-order saddle-points have faster-than-logarithmic divergences, which can amplify electron correlation effects and create exotic states such as supermetals in 2D materials. Here we report the existence of 'high-order' VHSs in the cuprates and related high-Tc superconductors and show that the anomalous divergences in their spectra are driven by the electronic dimensionality of the system being lower than the dimensionality of the lattice. The order of VHS is found to correlate with the superconducting Tc such that materials with higher order VHSs display higher Tc's. We further show that the presence of the normal and higher-order VHSs in the electronic spectrum can provide a straightforward marker for identifying the propensity of a material toward correlated phases such as excitonic insulators or supermetals. Our study opens up a new materials playground for exploring the interplay between high-order VHSs, superconducting transition temperatures and electron correlation effects in the cuprates and related high-Tc superconductors., Comment: 7 pages, 4 figures + SM [5 pages, 6 figures]

Manipulation of spin-polarized electronic states of two-dimensional (2D) materials under ambient conditions is necessary for developing new quantum devices with small physical dimensions. Here, we explore spin-dependent electronic structures of ultra-thin films of recently introduced 2D synthetic materials MSi$_2$Z$_4$ (M = Mo or W and Z = N or As) using first-principles modeling. Stacking of MSi$_2$Z$_4$ monolayers is found to generate dynamically stable bilayer and bulk materials with thickness-dependent properties. When spin-orbit coupling (SOC) is included in the computations, MSi$_2$N$_4$ monolayers display indirect bandgaps and large spin-split states at the $K$ and $K'$ symmetry points at the corners of the Brillouin zone with nearly 100\% spin polarization. The spins are locked in opposite directions along an out-of-the-plane direction at $K$ and $K'$, leading to spin-valley coupling effects. As expected, spin polarization is absent in the pristine bilayers due to the presence of inversion symmetry, but it can be induced via an external out-of-plane electric field much like the case of Mo(W)S$_2$ bilayers. A transition from an indirect to a direct bandgap can be driven by replacing N by As in MSi$_2$(N, As)$_4$ monolayers. Our study indicates that the MSi$_2$Z$_4$ materials can provide a viable alternative to the MoS$_2$ class of 2D materials for valleytronics and optoelectronics applications., Comment: 6 pages, 5 figures, Accepted version in PRB:Letters