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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

Compounds with kagome lattice structure are known to exhibit Dirac cones, flat bands, and van Hove singularities, which host numerous versatile quantum phenomena. Inspired by these intriguing properties, we investigate the temperature and magnetic field dependent electrical transports along with the theoretical calculations of ScV6Sn6, a nonmagnetic charge density wave (CDW) compound. At low temperatures, the compound exhibits Shubnikov-de Haas quantum oscillations, which help to design the Fermi surface (FS) topology. This analysis reveals the existence of several small FSs in the Brillouin zone, combined with a large FS. Among them, the FS possessing Dirac band is a non-trivial and generates a non-zero Berry phase. In addition, the compound also shows the anomalous Hall-like behaviour up to the CDW with the CDW phase, ScV6Sn6 presents a unique material example of the versatile HfFe6Ge6 family and provides various promising opportunities to explore the series further., Comment: Published version, 19 Pages, 5 figures with supplementary

Spontaneously broken symmetries are at the heart of many phenomena of quantum matter and physics more generally. However, determining the exact symmetries broken can be challenging due to imperfections such as strain, in particular when multiple electronic orders form complex interactions. This is exemplified by charge order in some kagome systems, which are speculated to show nematicity and flux order from orbital currents. We fabricated highly symmetric samples of a member of this family, CsV$_3$Sb$_5$, and measured their transport properties. We find the absence of measurable anisotropy at any temperature in the unperturbed material, however, a striking in-plane transport anisotropy appears when either weak magnetic fields or strains are present. A symmetry analysis indicates that a perpendicular magnetic field can indeed lead to in-plane anisotropy by inducing a flux order coexisting with more conventional bond order. Our results provide a unifying picture for the controversial charge order in kagome metals and highlight the need for microscopic materials control in the identification of broken symmetries.

Aliovalent doping has been adopted to optimize the electrical properties of semiconductors, while its impact on the phonon structure and propagation is seldom paid proper attention to. This work reveals that aliovalent doping can be much more effective in reducing the lattice thermal conductivity of thermoelectric semiconductors than the commonly employed isoelectronic alloying strategy. As demonstrated in the heavy-band NbFeSb system, a large reduction of 65% in the lattice thermal conductivity is achieved through only 10% aliovalent Hf-doping, compared to the 4 times higher isoelectronic Ta-alloying. It is elucidated that aliovalent doping introduces free charge carriers and enhances the screening, leading to the giant softening and deceleration of optical phonons. Moreover, the heavy dopant can induce the avoided-crossing of acoustic and optical phonon branches, further decelerating the acoustic phonons. These results highlight the significant role of aliovalent dopants in regulating the phonon structure and suppressing the phonon propagation of semiconductors.

We thank G.P. Mikitik and Yu.V. Sharlai for contributing this note and the cordial exchange about it. First and foremost, we note that the aim of our paper is to report a methodology to diagnose topological (semi)metals using magnetic quantum oscillations. Thus far, such diagnosis has been based on the phase offset of quantum oscillations, which is extracted from a "Landau fan plot". A thorough analysis of the Onsager-Lifshitz-Roth quantization rules has shown that the famous $\pi$-phase shift can equally well arise from orbital- or spin magnetic moments in topologically trivial systems with strong spin-orbit coupling or small effective masses. Therefore, the "Landau fan plot" does not by itself constitute a proof of a topologically nontrivial Fermi surface. In the paper at hand, we report an improved analysis method that exploits the strong energy-dependence of the effective mass in linearly dispersing bands. This leads to a characteristic temperature dependence of the oscillation frequency which is a strong indicator of nontrivial topology, even for multi-band metals with complex Fermi surfaces. Three materials, Cd$_3$As$_2$, Bi$_2$O$_2$Se and LaRhIn$_5$ served as test cases for this method. Linear band dispersions were detected for Cd$_3$As$_2$, as well as the $F$ $\approx$ 7 T pocket in LaRhIn$_5$., Comment: Response to Matter arising for Nature Communications 12, 6213 (2021)

Strong singularities in the electronic density of states amplify correlation effects and play a key role in determining the ordering instabilities in various materials. Recently high order van Hove singularities (VHSs) with diverging power-law scaling have been classified in single-band electron models. We show that the 110 surface of Bismuth exhibits high order VHS with an usually high density of states divergence $\sim (E)^{-0.7}$. Detailed mapping of the surface band structure using scanning tunneling microscopy and spectroscopy combined with first-principles calculations show that this singularity occurs in close proximity to Dirac bands located at the center of the surface Brillouin zone. The enhanced power-law divergence is shown to originate from the anisotropic flattening of the Dirac band just above the Dirac node. Such near-coexistence of massless Dirac electrons and ultra-massive saddle points enables to study the interplay of high order VHS and Dirac fermions.

We introduce a gauge-invariant model of planar, square molecules coupled to a quantized spatially-varying cavity electromagnetic vector potential A(r). Specifically, we choose a temporally chiral cavity hosting a uniform magnetic field B, as this is the simplest instance in which a transverse spatially-varying A(r) is at play. We show that when the molecules are in the Van Vleck paramagnetic regime, an equilibrium quantum phase transition to a photon condensate state occurs., Comment: 14 pages, 3 figures

We present an optical pump-THz emission study on non-collinear antiferromagnet Mn$_3$Sn. We show that Mn$_3$Sn acts as a source of THz radiation when irradiated by femtosecond laser pulses. The polarity and amplitude of the emitted THz fields can be fully controlled by the polarisation of optical excitation. We explain the THz emission with the photocurrents generated via the photon drag effect by combining various experimental measurements as a function of pump polarisation, magnetic field, and sample orientation with thorough symmetry analysis of response tensors., Comment: 10+13 pages; 4+5 figures

Magnetic topological quantum materials are attracting considerable attention owing to their potential technological applications. However, only a small number of these materials have been experimentally realized, thereby giving rise to the need for new stable magnetic topological quantum materials. Magnetism and spin-orbit coupling, two essential ingredients of the oxide materials, lead to various topological transport phenomena such as the anomalous Hall and anomalous Nernst effects, which can be significantly enhanced by designing an electronic structure with a large Berry curvature. In that respect, double perovskites with the general formula A$_2$BB'O$_6$ with an alternating ordered arrangement of two transition metal sites, B(3d) and B'(4d/5d), present attractive possibilities as they are robustly stable against oxidation under ambient conditions and versatile. These double perovskites also offer a high energy scale for magnetism as well as strong spin-orbit coupling with a high magnetic ordering temperature. Here, using first-principles density functional theory calculations, we present a comprehensive study of the intrinsic anomalous transport for 3d-4d/5d based cubic and tetragonal stable double perovskite (DP) compounds. A few of the DPs exhibit a very large anomalous Hall effect with a distinct topological band crossing in the vicinity of the Fermi energy. Our results show the importance of symmetries, particularly the mirror planes, as well as the clean topological band crossing near the Fermi energy, which is primarily contributed by the 5d-t$_{2g}$ for large anomalous Hall and Nernst effects., Comment: 12 pages, 7 figures

Among the quasi one-dimensional transition metal tetrachalcogenides (MSe$_4$)$_n$I (M=Nb,Ta), the $n=3$ compounds are the only ones not displaying charge density waves. Instead, they show structural transitions with puzzling transport behavior. They are semiconductors at the lowest temperatures, but their transport gaps are significantly smaller than those inferred from ARPES and optical conductivity. Recently, a metallic polytype of (TaSe$_4$)$_3$I has been found with ferromagnetism and superconductivity coexisting at low temperature, in contrast to previous reports. In this work we present detailed ab-initio and tight binding band structure calculations for the different (MSe$_4$)$_n$I reported structures. We obtain good agreement with the observed transport gaps, and explain how ARPES and optics experiments effectively probe a gap between different bands due to an approximate translation symmetry, solving the controversy. Finally, we show how small extrinsic hole doping can tune the Fermi level through a Van Hove singularity in (TaSe$_4$)$_3$I and discuss the implications for magnetism and superconductivity., Comment: 10 pages, 9 figures

Co$_2$MnGa is a ferromagnetic semimetal with Weyl nodal lines identified by ARPES. We studied electrical transport in thin Co$_2$MnGa lamellae (10 $\times$ 10 $\times$ 0.4-5 microns) cut from single-crystals using a focused ion beam. These crystals exhibit an unexpected and highly unusual planar resistance anisotropy ($\sim$10 times) with principal axes that rotate by 90 degrees between the upper and lower faces. Using symmetry arguments and simulations, we find that the observed resistance anisotropy resembles that of an isotropic conductor with anisotropic surface states that are impeded from hybridization with bulk states. The origin of these states awaits further experiments that can correlate the surface bands with the observed 90$^\circ$-twist geometry., Comment: 10 pages, 5 figures

The search for topological superconductivity has motivated investigations into materials that combine topological and superconducting properties. The half-Heusler compound YPtBi appears to be such a material, however experiments have thus far been limited to bulk single crystals, drastically limiting the scope of available experiments. This has made it impossible to investigate the potential topological nature of the superconductivity in this material. Experiments to access details about the superconducting state require sophisticated lithographic structures, typically based on thin films. Here we report on the establishment of high crystalline quality epitaxial thin films of YPtBi(111), grown using molecular beam epitaxy on Al2O3(0001) substrates. A robust superconducting state is observed, with both critical temperature and critical field consistent with that previously reported for bulk crystals. Moreover we find that AlOx capping sufficiently protects the sample surface from degradation to allow for proper lithography. Our results pave a path towards the development of advanced lithographic structures, that will allow the exploration of the potentially topological nature of superconductivity in YPtBi., Comment: 5 pages, 4 figures

The coexistence of superconductivity and topology holds the potential to realize exotic quantum states of matter. Here we report that superconductivity induced by high pressure in three thallium-based materials, covering the phase transition from a normal insulator (TlBiS2) to a topological insulator (TlBiSe2) through a Dirac semimetal (TlBiSeS). By increasing the pressure up to 60 GPa, we observe superconductivity phase diagrams with maximal Tc values at 6.0-8.1 K. Our density-functional theory calculations reveal topological surface states in superconductivity phases for all three compounds. Our study paves the path to explore topological superconductivity and topological phase transitions., Comment: 39 pages, 5+22 figures

Time-reversal symmetry breaking allows for a rich set of magneto-transport properties related to electronic topology. Focusing on the magnetic Weyl semimetal Co$_3$Sn$_2$S$_2$, we prepared micro-ribbons and investigated their transverse and longitudinal transport properties from 100 K to 180 K in magnetic fields $\mu_0 H$ up to 2T. We establish the presence of a magnetoresistance (MR) up to 1 % with a strong anisotropy depending the projection of $H$ on the easy-axis magnetization, which exceeds all other magnetoresistive effects. Based on detailed phenomenological modeling, we attribute the observed results with unexpected form of anisotropy to magnon MR resulting from magnon-electron coupling. Moreover, a similar angular dependence is also found in the transverse resistivity which we show to originate from the combination of ordinary Hall and anomalous Hall effects. Thus the interplay of magnetic and topological properties governs the magnetotransport features of this magnetic Weyl system., Comment: 7 pages, 6 figures

Metallic Mn-based alloys with a nearest-neighbor Mn-Mn distance greater than 0.4 nm exhibit large, well-localized magnetic moments. Here we investigate the magnetism of tetragonal Au4Mn with a Curie temperature of 385 K, where manganese has a spin moment of 4.1 muB and its orbital moment is quenched. Since 80% of the atoms are gold, the spin orbit interaction is strong and Au4Mn exhibits uniaxial magnetocrystalline anisotropy with surface maze domains at room temperature. The magnetic hardness parameter of 1.0 is sufficient to maintain the magnetization along the c-axis for a sample of any shape. Au also reduces the spin moment of Mn through 5d-3d orbital hybridization. An induced moment of 0.05 muB was found on Au under a pulsed field of 40 T. Density functional theory calculations indicate that the Mn-Mn exchange is mediated by spin-polarized gold 5d and 6p electrons. The distance-dependence shows that it is ferromagnetic or zero for the first ten shells of Mn neighbors out to 1.041 nm (64 atoms), and very weak and oscillatory thereafter.

Spin-momentum locking in solids describes a directional relationship between the electron's spin angular momentum and its linear momentum over the entire Fermi surface. While orthogonal spin-momentum locking, such as Rashba spin-orbit coupling, has been studied for decades and inspired a vast number of applications, its natural counterpart, the purely parallel spin-momentum locking, has remained elusive in experiments. Recently, chiral topological semimetals that host single- and multifold band crossings have been predicted to realize such parallel locking. Here, we use spin- and angle-resolved photoelectron spectroscopy to probe spin-momentum locking of a multifold fermion in the chiral topological semimetal PtGa via the spin-texture of its topological Fermi-arc surface states. We find that the electron spin of the Fermi-arcs points orthogonal to their Fermi surface contour for momenta close to the projection of the bulk multifold fermion, which is consistent with parallel spin-momentum locking of the latter. We anticipate that our discovery of parallel spin-momentum locking of multifold fermions will lead to the integration of chiral topological semimetals in novel spintronic devices, and the search for spin-dependent superconducting and magnetic instabilities in these materials.

We report high resolution polar Kerr effect measurements on CsV${}_3$Sb${}_5$ single crystals in search for signatures of spontaneous time reversal symmetry breaking below the charge order transition at $T^* \approx 94$ K. Utilizing two different versions of zero-area loop Sagnac interferometers operating at 1550 nm wavelength, each with the fundamental attribute that without a time reversal symmetry breaking sample at its path, the interferometer is perfectly reciprocal, we find no observable Kerr effect to within the noise floor limit of the apparatus at 30 nanoradians. Simultaneous coherent reflection ratio measurements confirm the sharpness of the charge order transition in the same optical volume as the Kerr measurements. At finite magnetic field we observe a sharp onset of a diamagnetic shift in the Kerr signal at $T^*$, which persists down to the lowest temperature without change in trend. Since 1550 nm is an energy that was shown to capture all features of the optical properties of the material that interact with the charge order transition, we are led to conclude that it is highly unlikely that time reversal symmetry is broken in the charge ordered state in CsV${}_3$Sb${}_5$., Comment: 11 pages, 8 figures

The Mn3X family of compounds was the first in which a large anomalous Hall effect (AHE) was predicted to arise from a purely antiferromagnetic structure, due to the Berry curvature in momentum space. Nearly simultaneously with this prediction, a large AHE was observed experimentally in one of the hexagonal members of this family, Mn3Sn. Aligning antiferromagnetic domains, a necessary step for observation of the AHE, is more challenging for the cubic members of the Mn3X family, due to a combination of a smaller spontaneous ferromagnetic moment and much stronger magnetic anisotropy. Here, we use a combination of uniaxial stress and applied magnetic field to align domains of bulk single-crystal Mn3Pt, and demonstrate for the first time a substantial AHE in a bulk sample of a cubic member of the Mn3X family. The AHE remains locked in with essentially no quantitative variation when the stress is ramped back to zero, which shows that it is not a consequence of any stress-induced ferromagnetic moment.

In materials, certain approximated symmetry operations can exist in a lower-order approximation of the effective model but are good enough to influence the physical responses of the system, and these approximated symmetries were recently dubbed "quasi-symmetries" \cite{guo_arxiv_2021}. In this work, we reveal a hierarchy structure of the quasi-symmetries and the corresponding nodal structures that they enforce via two different approaches of the perturbation expansions for the effective model in the chiral crystal material CoSi. In the first approach, we treat the spin-independent linear momentum (k) term as the zero-order Hamiltonian. Its energy bands are four-fold degenerate due to an SU(2)$\times$SU(2) quasi-symmetry. We next consider both the k-independent spin-orbit coupling (SOC) and full quadratic-k terms as the perturbation terms and find that the first-order perturbation leads to a model described by a self-commuting "stabilizer code" Hamiltonian with a U(1) quasi-symmetry that can protect nodal planes. In the second approach, we treat the SOC-free linear-k term and k-independent SOC term as the zero-order. They exhibit an SU(2) quasi-symmetry, which can be reduced to U(1) quasi-symmetry by a choice of quadratic terms. Correspondingly, a two-fold degeneracy for all the bands due to the SU(2) quasi-symmetry is reduced to two-fold nodal planes that are protected by the U(1) quasi-symmetry. For both approaches, including higher-order perturbation will break the U(1) quasi-symmetry and induce a small gap $\sim$ 1 meV for the nodal planes. These quasi-symmetry protected near degeneracies play an essential role in understanding recent quantum oscillation experiments in CoSi., Comment: 4+41 pages, welcomes are welcome

Strong electron correlations underlie a plethora of electronic and magnetic components and devices and are often used to identify and probe novel ground states in quantum materials. Herein we report a magnetic phase crossover in EuMn2P2, an insulator which shows Eu antiferromagnetism at TN=17K, but no phase transition attributed to Mn magnetism. The absence of a Mn magnetic phase transition contrasts with the formation of long-range Mn order at T=130K in isoelectronic EuMn2Sb2 and EuMn2As2. Temperature-dependent specific heat and 31P NMR measurements provide evidence for the development of Mn magnetic correlations from T=250-100 K. Density functional theory calculations demonstrate an unusual sensitivity of the band structure to the details of the imposed Mn and Eu magnetic order, with antiferromagnetic Mn order required to recapitulate an insulating state. Our results imply a picture in which long range Mn magnetic order is suppressed by chemical pressure, but that magnetic correlations persist, narrowing bands and producing an insulating state.

Oxide materials exhibit several novel structural, magnetic, and electronic properties. Their stability under ambient conditions, easy synthesis, and high transition temperatures provide such systems with an ideal ground for realizing topological properties and real-life technological applications. However, experimental evidence of topological states in oxide materials is rare. In this study, we have synthesized single crystals of oxide double perovskite Sr2FeMoO6 and revealed its topological nature by investigating its structural, magnetic, and electronic properties. We observed that the system crystallized in the cubic space group Fm-3m, which is a half-metallic ferromagnet. Transport measurements show an anomalous Hall effect, and it is evident that the Hall contribution originates from the Berry curvature. Assuming a shift of the Fermi energy towards the conduction band, the contribution of the anomalous Hall effect is enhanced owing to the presence of a gaped nodal line. This study can be used to explore and realize the topological properties of bulk oxide systems., Comment: Topological quantum material, Oxide topological material

The increasing resistance of Cu interconnects for decreasing dimensions is a major challenge in continued downscaling of integrated circuits beyond the 7-nm technology node as it leads to unacceptable signal delays and power consumption in computing. The resistivity of Cu increases due to electron scattering at surfaces and grain boundaries of the interconnects at the nanoscale. Topological semimetals, owing to their topologically protected surface states and suppressed electron backscattering, are promising material candidates to potentially replace current Cu interconnects as low-resistance interconnects. Here, we report the attractive resistivity scaling of topological metal MoP nanowires and show that the resistivity values are comparable to those of Cu interconnects below 500 nm$^2$ cross-section areas. More importantly, we demonstrate that the dimensional scaling of MoP nanowires, in terms of line resistance versus total cross-sectional area, is superior to those of effective Cu and barrier-less Ru interconnects, suggesting MoP is an attractive solution to the current scaling challenge of Cu interconnects., Comment: 4 figures

Double Dirac materials are a topological phase of matter in which a non-symmorphic symmetry enforces greater electronic degeneracy than normally expected up to eightfold. The cubic palladium bronzes NaPd$_3$O$_4$ and LaPd$_3$S$_4$ are built of Pd$_3$X$_4$ (X = O, S) anionic frameworks that are ionically bonded to A cations (A = Na, La). These materials were recently identified computationally as harboring eightfold fermions. Here we report the preparation of single crystals and electronic properties of LaPd$_3$S$_4$. Measurements down to T = 0.45 K and in magnetic fields up to $\mu$0H = 65 T are consistent with normal Fermi liquid physics of a Dirac metal in the presence of dilute magnetic impurities. This interpretation is further confirmed by analysis of specific heat, magnetization measurements and comparison to density functional theory (DFT) calculations. Through a bonding analysis of the DFT electronic structure of NaPd$_3$O$_4$ and LaPd$_3$S$_4$, we identify the origin of the stability of the anionic Pd$_3$X$_4$ framework at higher electron counts for X = S than X = O, and propose chemical tuning strategies to enable shifting the 8-fold fermion points to the Fermi level.

Weyl semimetals combine topological and semimetallic effects, making them candidates for interesting and effective thermoelectric transport properties. Here, we present experimental results on polycrystalline NbP, demonstrating the simultaneous existence of a large Nernst effect and a large magneto-Seebeck effect, which is typically not observed in a single material at the same temperature. We compare transport results from two polycrystalline samples of NbP with previously published work, observing a shift in the temperature at which the maximum Nernst and magneto-Seebeck thermopowers occur, while still maintaining thermopowers of similar magnitude. Theoretical modeling shows how doping strongly alters both the Seebeck and Nernst magneto-thermopowers by shifting the temperature-dependent chemical potential, and the corresponding calculations provide a consistent interpretation of our results. Thus, we offer doping as a tuning mechanism for shifting magneto-thermoelectric effects to temperatures appropriate for device applications, improving zT at desirable operating temperature. Furthermore, the simultaneous presence of both a large Nernst and magneto-Seebeck thermopower is uncommon and offers unique device advantages if the thermopowers are used additively. Here, we also propose a unique thermoelectric device which would collectively harness the large Nernst and magneto-Seebeck thermopowers to greatly enhance the output and zT of conventional thermoelectric devices., Comment: 32 pages, 21 figures

Topology, a well-established concept in mathematics, has nowadays become essential to describe condensed matter. At its core are chiral electron states on the bulk, surfaces and edges of the condensed matter systems, in which spin and momentum of the electrons are locked parallel or anti-parallel to each other. Magnetic and non-magnetic Weyl semimetals, for example, exhibit chiral bulk states that have enabled the realization of predictions from high energy and astrophysics involving the chiral quantum number, such as the chiral anomaly, the mixed axial-gravitational anomaly and axions. The potential for connecting chirality as a quantum number to other chiral phenomena across different areas of science, including the asymmetry of matter and antimatter and the homochirality of life, brings topological materials to the fore., Comment: talk at the Nobel Symposium 167, "Chiral Matter", Stockholm June 2021. To be published in the proceedings

The linear positive magnetoresistance (LPMR) is a widely observed phenomenon in topological materials, which is promising for potential applications on topological spintronics. However, its mechanism remains ambiguous yet and the effect is thus uncontrollable. Here, we report a quantitative scaling model that correlates the LPMR with the Berry curvature, based on a ferromagnetic Weyl semimetal CoS2 that bears the largest LPMR of over 500% at 2 Kelvin and 9 Tesla, among known magnetic topological semimetals. In this system, masses of Weyl nodes existing near the Fermi level, revealed by theoretical calculations, serve as Berry-curvature monopoles and low-effective-mass carriers. Based on the Weyl picture, we propose a relation \[\text{MR}=\frac{e}{\hbar }B{{\Omega }_{\text{F}}}\], with B being the applied magnetic field and \[{{\Omega }_{\text{F}}}\] the average Berry curvature near the Fermi surface, and further introduce temperature factor to both MR/B slope (MR per unit field) and anomalous Hall conductivity, which establishes the connection between the model and experimental measurements. A clear picture of the linearly slowing down of carriers, i.e., the LPMR effect, is demonstrated under the cooperation of the k-space Berry curvature and real-space magnetic field. Our study not only provides an experimental evidence of Berry curvature induced LPMR for the first time, but also promotes the common understanding and functional designing of the large Berry-curvature MR in topological Dirac/Weyl systems for magnetic sensing or information storage.

The prosperity and lifestyle of our society are very much governed by achievements in condensed matter physics, chemistry and materials science, because new products for sectors such as energy, the environment, health, mobility and information technology (IT) rely largely on improved or even new materials. Examples include solid-state lighting, touchscreens, batteries, implants, drug delivery and many more. The enormous amount of research data produced every day in these fields represents a gold mine of the twenty-first century. This gold mine is, however, of little value if these data are not comprehensively characterized and made available. How can we refine this feedstock; that is, turn data into knowledge and value? For this, a FAIR (findable, accessible, interoperable and reusable) data infrastructure is a must. Only then can data be readily shared and explored using data analytics and artificial intelligence (AI) methods. Making data 'findable and AI ready' (a forward-looking interpretation of the acronym) will change the way in which science is carried out today. In this Perspective, we discuss how we can prepare to make this happen for the field of materials science.

In spin-orbit coupled crystals, symmetries can protect multifold degeneracies with large Chern numbers and Brillouin zone spanning topological surface states. In this work, we explore the extent to which the nontrivial topology of chiral multifold fermions impacts the spin texture of bulk states. To do so, we formulate a definition of spin-momentum locking in terms of reduced density matrices. Using tools from the theory of topological quantum chemistry, we show how the reduced density matrix can be determined from the knowledge of the basis orbitals and band representation forming the multifold fermion. We show how on-site spin orbit coupling, crystal field splitting, and Wyckoff position multiplicity compete to determine the spin texture of states near chiral fermions. We compute the spin texture of multifold fermions in several representative examples from space groups $P432$ (207) and $P2_13$ (198). We show that the winding number of the spin around the Fermi surface can take many different integer values, from zero all the way to $\pm 7$. Finally, we conclude by showing how to apply our theory to real materials using the example of PtGa in space group $P2_13$., Comment: 28 pages, 6 figures

When electric conductors differ from their mirror image, unusual chiral transport coefficients appear that are forbidden in achiral metals, such as a non-linear electric response known as electronic magneto-chiral anisotropy (eMChA). While chiral transport signatures are by symmetry allowed in many conductors without a center of inversion, it reaches appreciable levels only in rare cases when an exceptionally strong chiral coupling to the itinerant electrons is present. So far, observations of chiral transport have been limited to materials in which the atomic positions strongly break mirror symmetries. Here, we report chiral transport in the centro-symmetric layered Kagome metal CsV$_3$Sb$_5$, observed via second harmonic generation under in-plane magnetic field. The eMChA signal becomes significant only at temperatures below $T'\sim$ 35 K, deep within the charge-ordered state of CsV$_3$Sb$_5$ ($T_{\mathrm{CDW}}\sim$ 94 K). This temperature dependence reveals a direct correspondence between electronic chirality, unidirectional charge order, and spontaneous time-reversal-symmetry breaking due to putative orbital loop currents. We show that the chirality is set by the out-of-plane field component and that a transition from left- to right-handed transport can be induced by changing the field sign. CsV$_3$Sb$_5$ is the first material in which strong chiral transport can be controlled and switched by small magnetic-field changes, in stark contrast to structurally chiral materials -- a prerequisite for their applications in chiral electronics.

Synthesis, crystal structure and magnetic properties of a new 2:1 ordered triple perovskite Sr3CaOs2O9 are reported. The compound crystallizes in P21/c space group and features a unique buckled honeycomb lattice of osmium. It exhibits long-range antiferromagnetic ordering with a high Neel temperature of 385 K as confirmed by susceptibility, heat capacity and neutron diffraction measurements and is electrically insulating. This compound is also the first example of a 2:1 ordered osmate perovskite. Theoretical investigations indicate that Sr3CaOs2O9 features a sizeable antiferromagnetic exchange between the puckered planes resulting in a high TN. The magnetic properties of the known compound Sr3CaRu2O9 are elucidated in comparison. It shows antiferromagnetic order below TN = 200 K., Comment: 11 pages, 13 figures

Magnetic topological materials represent a class of compounds whose properties are strongly influenced by the topology of the electronic wavefunctions coupled with the magnetic spin configuration. Such materials can support chiral electronic channels of perfect conduction, and can be used for an array of applications from information storage and control to dissipationless spin and charge transport. Here, we review the theoretical and experimental progress achieved in the field of magnetic topological materials beginning with the theoretical prediction of the Quantum Anomalous Hall Effect without Landau levels, and leading to the recent discoveries of magnetic Weyl semimetals and antiferromagnetic topological insulators. We outline the recent theoretical progress that resulted in the tabulation, for the first time, of all magnetic symmetry group representations and topology. We describe several experiments realizing Chern insulators, Weyl and Dirac magnetic semimetals, and an array of axionic and higher-order topological phases of matter as well as survey future perspectives.

The cascade of electronic phases in CsV$_3$Sb$_5$ raises the prospect to disentangle their mutual interactions in a clean, strongly interacting Kagome lattice. When the Kagome planes are stacked into a crystal, its electronic dimensionality encodes how much of the Kagome physics and its topological aspects survive. The layered structure of CsV$_3$Sb$_5$ reflects in Brillouin-zone-sized quasi-2D Fermi surfaces and a significant transport anisotropy. Yet here we demonstrate that CsV$_3$Sb$_5$ is a three-dimensional metal within the charge-density-wave (CDW) state. Small 3D pockets play a crucial role in its low-temperature magneto- and quantum transport. Their emergence at $T_{CDW}\sim 93$ K results in an anomalous sudden increase of the in-plane magnetoresistance by 4 orders of magnitude. The presence of these 3D pockets is further confirmed by quantum oscillations under in-plane magnetic fields - demonstrating their closed nature. These results emphasize the impact of interlayer coupling on the Kagome physics in 3D materials.

Quantum phases can be classified by topological invariants, which take on discrete values capturing global information about the quantum state. Over the past decades, these invariants have come to play a central role in describing matter, providing the foundation for understanding superfluids, magnets, the quantum Hall effect, topological insulators, Weyl semimetals and other phenomena. Here we report a remarkable linking number (knot theory) invariant associated with loops of electronic band crossings in a mirror-symmetric ferromagnet. Using state-of-the-art spectroscopic methods, we directly observe three intertwined degeneracy loops in the material's bulk Brillouin zone three-torus, $\mathbb{T}^3$. We find that each loop links each other loop twice. Through systematic spectroscopic investigation of this linked loop quantum state, we explicitly draw its link diagram and conclude, in analogy with knot theory, that it exhibits linking number $(2,2,2)$, providing a direct determination of the invariant structure from the experimental data. On the surface of our samples, we further predict and observe Seifert boundary states protected by the bulk linked loops, suggestive of a remarkable Seifert bulk-boundary correspondence. Our observation of a quantum loop link motivates the application of knot theory to the exploration of exotic properties of quantum matter., Comment: See popular summary at https://research.princeton.edu/news/electrons-crystal-exhibit-linked-and-knotted-quantum-twists

The co-occurrence of phase transitions with local and global order parameters, such as the entangled magnetization and topological invariant, is attractive but has been seldom realized experimentally. Here, by using high-pressure in-situ X-ray diffraction, high-pressure electric transport measurements and high-pressure first-principles calculations, we report a magneto-topological phase transition, i.e., the phenomenon of magnetic materials undergoing different magnetic and topological phases during the process of pressure loading, in a recently discovered magnetic Weyl semimetal Co3Sn2S2. By considering both out-of-plane ferromagnetic and in-plane anti-ferromagnetic components, the calculated results can well fit the experimental data. The calculation results furtherly reveal a pristine Weyl phase with four more pairs of Weyl nodes under low pressures, and a generally-defined Z2 topological insulator phase after the restoration of time-reversal symmetry. Remarkably, the present magneto-topological phase transition involves a pair of crossing bands of two spin channels becoming degenerate. Thus, all the chiral Weyl nodes annihilate with their counterparts from another spin channel, in contrast to the typical annihilation of Weyl pairs from the same bands in inversion-asymmetric systems. Our experiments and theoretical calculations uncover a manner to modulate the diverse topological states by controlling the internal exchange splitting via external physical knobs in topological magnets., Comment: 16 pages, 4 figures

We report measurement of terahertz anomalous Hall conductivity and Faraday rotation in the magnetic Weyl semimetal Co$_2$MnGa thin films as a function of the magnetic field, temperature and thickness, using time-domain terahertz spectroscopy. The terahertz conductivity shows a thickness-independent anomalous Hall conductivity of around 600 $\Omega^{-1}\cdot cm^{-1}$ at room temperature, and it is also frequency-independent from 0.2-1.5 THz. The magnitude of the longitudinal and Hall conductivities, the weak spin-orbit coupling, and the very close positioning of Weyl points to the chemical potential all satisfy the criteria for intrinsic anomalous Hall conductivity. First-principle calculation also supports the frequency-independent intrinsic anomalous Hall conductivity at low frequency. We also find a thickness-independent Faraday rotation of 59 ($\pm6$) mrad at room temperature, which comes from the intrinsic Berry curvature contribution. In the thinnest 20 nm sample, the Faraday rotation divided by the sample thickness reaches around 3 mrad/nm due to Berry curvature, and is the largest reported at room temperature. The giant Verdet constant of the order of 10 $^{6}$ rad m $^{-1}$ T $^{-1}$ at room temperature and the large Hall angle around 8.5 $\%$ from 0.2-1.5 THz indicates that Co$_2$MnGa is promising for THz spintronics at room temperature., Comment: Accepted, Phys. Rev. B

Magnetic Weyl semimetals are an emerging material class that combines magnetic order and a topologically non-trivial band structure. Here, we study ultrafast optically driven spin injection from thin films of the magnetic Weyl semimetals Co$_2$MnGa and Co$_2$MnAl into an adjacent Pt layer by means of terahertz emission spectroscopy. We find that (i) Co$_2$MnGa and Co$_2$MnAl are efficient terahertz spin-current generators reaching efficiencies of typical 3d-transition-metal ferromagnets such as Fe. (ii) The relaxation of the spin current provides an estimate of the electron-spin relaxation time of Co$_2$MnGa (165 fs) and Co$_2$MnAl (102 fs), which is comparable to Fe (92 fs). Both observations are consistent with a simple analytical model and highlight the large potential of magnetic Weyl semimetals as spin-current sources in terahertz spintronic devices. Finally, our results provide a strategy to identify magnetic materials that provide maximum spin current amplitudes for a given deposited optical energy density.

Here we use low-temperature scanning tunneling microscopy and spectroscopy to study the polar surfaces of PdCoO2. On the CoO2-terminated polar surface, we detect the quasiparticle interference pattern originating from the Rashba spin-split surface states. On the well-ordered Pd-terminated polar surface, we observe a regular lattice which has larger lattice constant than the atomic lattice of PdCoO2. In comparison with the shape of the hexagonal bulk Fermi surface, we identify this regular lattice as a fully two-dimensional incommensurate charge modulation that is driven by the Fermi surface nesting. More interestingly, we also find the moir\'e pattern induced by the interference between the two-dimensional incommensurate charge modulation in the Pd layer and the underlying CoO2 lattice. Our results not only show a new charge modulation on the Pd surface of PdCoO2, but also pave the way for fully understanding the novel electronic properties of this material., Comment: 12 pages, 4 figures

We investigate the magnetic symmetry of the topological antiferromagnetic material Mn$_3$Ge by using torque measurements. Below the Neel temperature, detailed angle-dependent torque measurements were performed on Mn$_3$Ge single crystals in directions parallel and perpendicular to the Kagome basal plane. The out-of plane torque data exhibit $\pm\sin\theta$ and $\sin2\theta$ behaviors, of which the former results from the spontaneous ferromagnetism within the basal plane and the latter from the in- and out-of-plane susceptibility anisotropy. The reversible component of the in-plane torque exhibits $\sin6\varphi$ behavior, revealing the six-fold symmetry of the in-plane magnetic free energy. Moreover, we find that the free energy minima are pinned to the direction of spontaneous ferromagnetism, which correspond to the maxima of the irreversible component of the in-plane torque. We provide an effective spin model to describe the in-plane magnetic anisotropy. Our results demonstrate that the ground state of Mn$_3$Ge is described by the coexistence of a strong six-fold antichiral order and a weak ferromagnetic order induced by second-order spin anisotropy.

The search for highly efficient and low-cost catalysts based on earth abundant elements is one of the main driving forces in organic and inorganic chemistry. Current strategies for the heterogeneous catalyst design focus on increasing the density of active regions and the optimization of Gibbs free energy of chemical reaction via doping. In this work, we investigate the chemical properties of moire metal for hydrogen evolution reaction. We show that the local shift of metallic atoms introduces a variation in surface hydrogen bonding strength and leads to the spatially dependent Gibbs free energy for hydrogen absorption. Remarkably, the Gibbs free energy of AB stacked NbS2 is shown to cover the thermoneutral volcano peak, exceeding the efficiency of the current record platinum. The richness of local chemical environment in moire structures provides a unique way to tune the reactivity for various chemical reactions. Our study establishes a recipe for designing superior catalysts from the simple twist or stacking of formerly inactive catalytic metals, and proposes structural moire as a promising nanoengineering method to tune surface properties for chemical adsorption., Comment: Updated figures, add discussion on STM probe

Skyrmionic materials hold the potential for future information technologies, such as racetrack memories. Key to that advancement are systems that exhibit high tunability and scalability, with stored information being easy to read and write by means of all-electrical techniques. Topological magnetic excitations such as skyrmions and antiskyrmions, give rise to a characteristic topological Hall effect. However, the electrical detection of antiskyrmions, in both thin films and bulk samples has been challenging to date. Here, we apply magneto-optical microscopy combined with electrical transport to explore the antiskyrmion phase as it emerges in crystalline mesoscale structures of the Heusler magnet Mn$_{1.4}$PtSn. We reveal the Hall signature of antiskyrmions in line with our theoretical model, comprising anomalous and topological components. We examine its dependence on the vertical device thickness, field orientation, and temperature. Our atomistic simulations and experimental anisotropy studies demonstrate the link between antiskyrmions and a complex magnetism that consists of competing ferromagnetic, antiferromagnetic, and chiral exchange interactions, not captured by micromagnetic simulations., Comment: 30 pages, 4 figures, Supplementary Information with additional 22 pages and 16 figures

The discovery of new catalysts that are efficient, sustainable, and low-cost is a major research endeavor for many industrial chemical processes. This requires an understanding and determination of the catalytic origins for the given catalysts, which still remains a challenge. Here we describe a novel method to identify new catalysts based on searching for crystalline symmetry-protected obstructed atomic insulators (OAIs) that have metallic surface states on otherwise semiconducting or insulating compounds. The Wannier charge centers in OAIs are pinned by symmetries at some empty Wyckoff positions so that surfaces that accommodate these sites are guaranteed to have metallic obstructed surface states (OSSs). Beyond the well-studied 2H-MoS2, we further verified our theory on the catalysts, 2H-MoTe2, and 1T'-MoTe2, whose catalytic active sites are consistent with our calculations of obstructed Wannier charge centers (OWCCs) and OSSs. In addition, we have predicted the location of catalytic active sites and confirmed these predictions by exploring the hydrogen evolution reaction on NiPS3 bulk single crystals, which we find to be one of the most promising new catalysts with high activity and, moreover, of low cost. Most importantly, we successfully identified several high-efficient catalysts just by considering the number of OWCCs and the crystal symmetry of the OAIs. Using the real space invariant theory and high-throughput computational methods applied to a database of 34013 topologically trivial insulators, we have identified 1788 unique OAIs (3383 ICSDs), of which 465 are potential high-quality catalysts for heterogeneous reactions. The Miller indices of the active surfaces are also obtained. Our new methodology will facilitate and accelerate the discovery of new catalysts for a wide range of heterogeneous redox reactions, where sustainability, toxicity, and cost must be considered., Comment: 17+26 pages, 4+14 figures. See also "Three-Dimensional Real Space Invariants, Obstructed Atomic Insulators and A New Principle for Active Catalytic Sites", Yuanfeng Xu et al

Topologically trivial insulators come in two kinds: atomic, where the Wannier charge centers (WCCs) are localized on the atoms, and obstructed atomic, where the WCCs are located away from the atoms. The latter, which can exhibit interesting surface states and possibly have much larger band gaps than the topological insulators, have so far not been classified in three-dimensional (3D) crystalline materials. In this paper, we developed the 3D real space invariants (RSIs) for the 1651 Shubnikov space groups with the spin-orbit coupling and provide the full classification of 3D obstructed atomic insulators (OAIs) by the RSIs. We then apply the theory to the entire database of materials on the Topological Quantum Chemistry website and Topological Magnetic Materials website, obtaining all the OAIs so far existing in nature. We find that, out of the 34013 paramagnetic and 296 magnetic topologically trivial insulators, there are 3383 paramagnetic and 30 magnetic OAIs. All of them present a filling anomaly under certain open-boundary conditions and exhibit obstructed surface states (OSSs). We further refine the atomic insulator concept to obtain the orbital-selected OAIs (OOAIs), where the WCC of the system is located at a Wyckoff position occupied by an atom but forms a symmetric representation that does not belong to the outer-shell electrons of the given atom. In such a way, we obtain a further 121 OOAIs. Furthermore, we analyze the catalytic properties of one of the OAIs in a "proof of principle" experiment. By using the single crystal of 2H-MoS2 as a hydrogen evolution catalyst, we directly prove that the catalytic activities arise from the surfaces with OSSs. Additional potential applications of the 3D RSIs and OAIs in, for example, electrochemistry, asymmetric catalysis, superconductivity, and Josephson diode will be discussed., Comment: 12+149 pages, 3+16 figures. The calculations of RSIs for all the 34013 ICSDs of topologically trivial insulators are available at https://www.topologicalquantumchemistry.fr/flatbands/. See also "Obstructed surface states as the origin of catalytic activity in inorganic heterogeneous catalysts", Guowei Li et al

The kagome metal compounds $A$V$_3$Sb$_5$ ($A$ = K, Rb, and Cs) feature a wealth of phenomena including nontrivial band topology, charge density wave (CDW), and superconductivity. One intriguing property is the time-reversal symmetry breaking in the CDW state without local moments, which leads to anomalous transport responses. Here, we report the investigation of magneto-thermoelectric effects on high-quality CsV$_3$Sb$_5$ single crystals. A large anomalous Nernst effect is observed at temperatures below 30 K. Multiple Fermi surfaces with small effective masses are revealed by quantum oscillations in Nernst and Seebeck signals under high magnetic field. Furthermore, we find an unknown frequency, and attribute it to the magnetic breakdown across two smaller Fermi surfaces. A gap around 20 meV can be resolved from the breakdown threshold field, which we propose to be introduced by the CDW. These results shed new light on the CDW-related phenomena, particularly in $A$V$_3$Sb$_5$ compounds.

Searching for a high anomalous Nernst effect (ANE) is crucial for thermoelectric energy conversion applications because the associated unique transverse geometry facilitates module fabrication. Topological ferromagnets with large Berry curvatures show high ANEs; however, they face drawbacks such as strong magnetic disturbances and low mobility due to high magnetization. Herein, we demonstrate that YbMnBi2, a canted antiferromagnet, has a large ANE conductivity of ~10 Am-1K-1 that surpasses the common high values (i.e. 3-5 Am-1K-1) observed so far in ferromagnets. The canted spin structure of Mn guarantees a nonzero Berry curvature but generates only a weak magnetization three orders of magnitude lower than that of general ferromagnets. The heavy Bi with a large spin-orbit coupling enables a high ANE and low thermal conductivity, whereas its highly dispersive px/y orbitals ensure low resistivity. The high anomalous transverse thermoelectric performance and extremely small magnetization makes YbMnBi2 an excellent candidate for transverse thermoelectrics.

The nontrivial band structure of semimetals has attracted substantial research attention in condensed matter physics and materials science in recent years owing to its intriguing physical properties. Within this class, a group of non-trivial materials known as nodal-line semimetals is particularly important. Nodal-line semimetals exhibit the potential effects of electronic correlation in nonmagnetic materials, whereas they enhance the contribution of the Berry curvature in magnetic materials, resulting in high anomalous Hall conductivity (AHC). In this study, two ferromagnetic compounds, namely ZrMnP and HfMnP, are selected, wherein the abundance of mirror planes in the crystal structure ensures gapped nodal lines at the Fermi energy. These nodal lines result in one of the largest AHC values of 2840 ohm^-1cm^-1, with a high anomalous Hall angle of 13.6 % in these compounds. First-principles calculations provide a clear and detailed understanding of nodal line-enhanced AHC. Our finding suggests a guideline for searching large AHC compounds., Comment: 4 figures, 14 pages

Interactions of charge carriers with lattice vibrations, or phonons, play a critical role in unconventional electronic transport of metals and semimetals. Recent observations of phonon-mediated collective electron flow in bulk semimetals, termed electron hydrodynamics, present new opportunities in the search for strong electron-electron interactions in high carrier density materials. Here we present the general transport signatures of such a second-order scattering mechanism, along with analytical limits at the Eliashberg level of theory. We study electronic transport, using $ab$ $initio$ calculations, in finite-size channels of semimetallic ZrSiS and TaAs$_2$ with and without topological band crossings, respectively. The order of magnitude separation between momentum-relaxing and momentum-conserving scattering length-scales across a wide temperature range make both of them promising candidates for further experimental observation of electron hydrodynamics. More generally, our calculations show that the hydrodynamic transport regime can be realized in a much broader class of anisotropic metals and does not, to first order, rely on the topological nature of the bands. Finally, we discuss general design principles guiding future search for hydrodynamic candidates, based on the analytical formulation and our $ab$ $initio$ predictions. We find that systems with strong electron-phonon interactions, reduced electronic phase space, and suppressed phonon-phonon scattering at temperatures of interest are likely to feature hydrodynamic electron transport. We predict that layered and/or anisotropic semimetals composed of half-filled $d$-shells and light group V/VI elements with lower crystal symmetry are ideal candidates to observe hydrodynamic phenomena in future., Comment: 10 pages, 5 figures