arXiv subjects

Claudia Felser

Publications and source records attributed to Claudia Felser.

At least 163 records · Page 9Linked to original sources

arXiv2021

Magnon-induced Giant Anomalous Nernst Effect in Single Crystal MnBi

Thermoelectric modules are a promising approach to energy harvesting and efficient cooling. In addition to the longitudinal Seebeck effect, recently transverse devices utilizing the anomalous Nernst effect (ANE) have attracted interest. For high conversion efficiency, it is required that the material should have a large ANE thermoelectric power and low electrical resistance, the product of which is the ANE conductivity. ANE is usually explained in terms of intrinsic contributions from Berry curvature. Our observations suggest that extrinsic contributions also matter. Studying single-crystal MnBi, we find a very high ANE thermopower (~10 $μ$V/K) under 0.6 T at 80 K, and a transverse thermoelectric conductivity of over 40 A/Km. With insight from theoretical calculations, we attribute this large ANE predominantly to a new advective magnon contribution arising from magnon-electron spin-angular momentum transfer. We propose that introducing large spin-orbit coupling into ferromagnetic materials may enhance the ANE through the extrinsic contribution of magnons.

cond-mat.mtrl-sci↗

arXiv2021

Spin-voltage-driven efficient terahertz spin currents from the magnetic Weyl semimetals Co$_2$MnGa and Co$_2$MnAl

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.

cond-mat.mes-hall↗

arXiv2021

Moiré metal for catalysis

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.

cond-mat.mtrl-sci↗

arXiv2021

Probing magnetic anisotropy in Kagome antiferromagnetic Mn$_3$Ge with torque magnetometry

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 $\pm\sinθ$ and $\sin2θ$ 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 $\sin6φ$ 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.

cond-mat.str-el↗

arXiv2021

Topological Materials Discovery from Crystal Symmetry

Topological materials discovery has evolved at a rapid pace over the past 15 years following the identification of the first nonmagnetic topological insulators (TIs), topological crystalline insulators (TCIs), and 3D topological semimetals (TSMs). Most recently, through complete analyses of symmetry-allowed band structures - including the theory of Topological Quantum Chemistry (TQC) - researchers have determined crystal-symmetry-enhanced Wilson-loop and complete symmetry-based indicators for nonmagnetic topological phases, leading to the discovery of higher-order TCIs and TSMs. The recent application of TQC and related methods to high-throughput materials discovery has revealed that over half of all of the known stoichiometric, solid-state, nonmagnetic materials are topological at the Fermi level, over 85% of the known stoichiometric materials host energetically isolated topological bands, and that just under $2/3$ of the energetically isolated bands in known materials carry the stable topology of a TI or TCI. In this Review, we survey topological electronic materials discovery in nonmagnetic crystalline solids from the prediction of the first 2D and 3D TIs to the recently introduced methods that have facilitated large-scale searches for topological materials. We also discuss future venues for the identification and manipulation of solid-state topological phases, including charge-density-wave compounds, magnetic materials, and 2D few-layer devices.

cond-mat.mtrl-sci↗

arXiv2021

Anomalous thermoelectric effects and quantum oscillations in the kagome metal CsV$_3$Sb$_5$

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.

cond-mat.mtrl-sci↗

arXiv2021

Imaging phonon-mediated hydrodynamic flow in WTe2

In the presence of interactions, electrons in condensed-matter systems can behave hydrodynamically, exhibiting phenomena associated with classical fluids, such as vortices and Poiseuille flow. In most conductors, electron-electron interactions are minimized by screening effects, hindering the search for hydrodynamic materials; however, recently, a class of semimetals has been reported to exhibit prominent interactions. Here we study the current flow in the layered semimetal tungsten ditelluride by imaging the local magnetic field using a nitrogen-vacancy defect in a diamond. We image the spatial current profile within three-dimensional tungsten ditelluride and find that it exhibits non-uniform current density, indicating hydrodynamic flow. Our temperature-resolve current profile measurements reveal a non-monotonic temperature dependence, with the strongest hydrodynamic effects at approximately 20 K. We also report ab initio calculations showing that electron-electron interactions are not explained by the Coulomb interaction alone, but are predominantly mediated by phonons. This provides a promising avenue in the search for hydrodynamic flow and prominent electron interactions in high-carrier-density materials.

cond-mat.mes-hall↗

arXiv2021

Three-Dimensional Real Space Invariants, Obstructed Atomic Insulators and A New Principle for Active Catalytic Sites

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.

cond-mat.mtrl-sci↗

arXiv2021

Obstructed surface states as the origin of catalytic activity in inorganic heterogeneous catalysts

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.

cond-mat.mtrl-sci↗

arXiv2021

Giant anomalous Nernst signal in the antiferromagnet YbMnBi2

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.

cond-mat.mtrl-sci↗

arXiv2021

Quasi-quantized Hall response in bulk InAs

The quasi-quantized Hall effect (QQHE) is the three-dimensional (3D) counterpart of the integer quantum Hall effect (QHE),exhibited only by two-dimensional (2D) electron systems. It has recently been observed in layered materials, consisting of stacks of weakly coupled 2D platelets that are yet characterized by a 3D anisotropic Fermi surface. However, it is predicted that the quasi-quantized 3D version of the 2D QHE should occur in a much broader class of bulk materials, regardless of the underlying crystal structure. Here, we compare the observation of quasi-quantized plateau-like features in the Hall conductivity of then-type bulk semiconductor InAs with the predictions for the 3D QQHE in presence of parabolic electron bands. InAs takes form of a cubic crystal without any low-dimensional substructure. The onset of the plateau-like feature in the Hall conductivity scales with $\sqrt{2/3}k_{F}^{z}/π$ in units of the conductance quantum and is accompanied by a Shubnikov-de Haas minimum in the longitudinal resistivity, consistent wit the results of calculations. This confirms the suggestion that the 3D QQHE may be a generic effect directly observable in materials with small Fermi surfaces, placed in sufficiently strong magnetic fields

cond-mat.mes-hall↗

arXiv2021

Anisotropic Nodal-Line-Derived Large Anomalous Hall Conductivity in ZrMnP and HfMnP

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.

cond-mat.mtrl-sci↗

arXiv2021

Generalized Design Principles for Hydrodynamic Electron Transport in Anisotropic Metals

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.

cond-mat.mtrl-sci↗

arXiv2021

Helicoid-arc van Hove singularities in topological chiral crystals

Van Hove singularity are electronic instabilities that lead to many fascinating interactions, such as superconductivity and charge-density waves. And despite much interest, the nexus of emergent correlation effects from van Hove singularities and topological states of matter remains little explored in experiments. By utilizing synchrotron-based angle-resolved photoemission spectroscopy and Density Functional Theory, here we provide the first discovery of the helicoid quantum nature of topological Fermi arcs inducing van Hove singularities. In particular, in topological chiral conductors RhSi and CoSi we directly observed multiple types of inter- and intra-helicoid-arc mediated singularities, which includes the type-I and type-II van Hove singularity. We further demonstrate that the energy of the helicoid-arc singularities are easily tuned by chemical engineering. Taken together, our work provides a promising route to engineering new electronic instabilities in topological quantum materials.

cond-mat.mtrl-sci↗

arXiv2021

Layer Hall effect in a 2D topological Axion antiferromagnet

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 moiré potential.

cond-mat.mtrl-sci↗

arXiv2021

Dopant-segregation to grain boundaries controls electrical conductivity of n-type NbCo(Pt)Sn half-Heusler alloy mediating thermoelectric performance

Science-driven design of future thermoelectric materials requires a deep understanding of the fundamental relationships between microstructure and transport properties. Grain boundaries in polycrystalline materials influence the thermoelectric performance through the scattering of phonons or the trapping of electrons due to space-charge effects. Yet, the current lack of careful investigations on grain boundary-associated features hinders further optimization of properties. Here, we study n-type NbCo1-xPtxSn half-Heusler alloys, which were synthesized by ball milling and spark plasma sintering (SPS). Post-SPS annealing was performed on one sample, leading to improved low-temperature electrical conductivity. The microstructure of both samples was examined by electron microscopy and atom probe tomography. The grain size increases from ~230 nm to ~2.38 μm upon annealing. Pt is found within grains and at grain boundaries, where it locally reduces the resistivity, as assessed by in situ four-point-probe electrical conductivity measurement. Our work showcases the correlation between microstructure and electrical conductivity, providing opportunities for future microstructural optimization by tuning the chemical composition at grain boundaries.

cond-mat.mtrl-sci↗

arXiv2021

Thermodynamic and transport properties of semiconducting two-dimensional metal-organic kagomé lattices with disorder

The kagomé lattice is a fruitful source of novel physical states of matter, including the quantum spin liquid and Dirac fermions. Here we report a structural, thermodynamic, and transport study of the two-dimensional kagomé metal-organic frameworks Ni_3(HIB)v2 and Cu_3(HIB)_2 (HIB = hexaiminobenzene). Magnetization measurements yield Curie constants of 1.12 and 0.352 emu K mol f.u.-1 Oe-1 respectively, close to the values expected for ideal S=1 and S=1/2 moments. Weiss temperatures of -20.3 K and -6.52 K, respectively, indicate moderate to weak magnetic interactions. Electrical transport measurements reveal that both materials are semiconducting, with gaps of Eg = 22.2 and 103 meV, respectively. Specific heat measurements reveal a large T-linear contribution of γ = 148(4) mJ mol-f.u.-1 K-2 in Ni_3(HIB)_2 with only a gradual upturn below T ~ 5 K and no evidence of a phase transition to an ordered state down to T = 0.1 K. Cu_3(HIB)_2 also lacks evidence of a phase transition above T = 0.1 K, with a substantial, field-dependent, magnetic contribution below T ~ 5 K. Despite being superficially in agreement with expectations of magnetic frustration and spin liquid physics, we are able to explain these observations as arising due to known stacking disorder in these materials. Our results further state the art of kagomé lattice physics, especially in the rarely explored regime of semiconducting but not metallic behavior.

cond-mat.str-el↗

arXiv2021

Large topological Hall effect in an easy-cone ferromagnet (Cr0.9B0.1)Te

The Berry phase understanding of electronic properties has attracted special interest in condensed matter physics, leading to phenomena such as the anomalous Hall effect and the topological Hall effect. A non-vanishing Berry phase, induced in momentum space by the band structure or in real space by a non-coplanar spin structure, is the origin of both effects. Here, we report a sign conversion of the anomalous Hall effect and a large topological Hall effect in (Cr0.9B0.1)Te single crystals. The spin reorientation from an easy-axis structure at high temperature to an easy-cone structure below 140 K leads to conversion of the Berry curvature, which influences both, anomalous and topological, Hall effects in the presence of an applied magnetic field and current. We compare and summarize the topological Hall effect in four categories with different mechanisms and have a discussion into the possible artificial fake effect of topological Hall effect in polycrystalline samples, which provides a deep understanding of the relation between spin structure and Hall properties.

cond-mat.mtrl-sci↗