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Claudia Felser

Publications and source records attributed to Claudia Felser.

At least 199 records · Page 11Linked to original sources

Sondheimer oscillations as a probe of non-ohmic flow in type-II Weyl semimetal WP$_2$

As conductors in electronic applications shrink, microscopic conduction processes lead to strong deviations from Ohm's law. Depending on the length scales of momentum conserving ($l_{MC}$) and relaxing ($l_{MR}$) electron scattering, and the device size ($d$), current flows may shift from ohmic to ballistic to hydrodynamic regimes and more exotic mixtures thereof. So far, an in situ, in-operando methodology to obtain these parameters self-consistently within a micro/nanodevice, and thereby identify its conduction regime, is critically lacking. In this context, we exploit Sondheimer oscillations, semi-classical magnetoresistance oscillations due to helical electronic motion, as a method to obtain $l_{MR}$ in micro-devices even when $l_{MR}\gg d$. This gives information on the bulk $l_{MR}$ complementary to quantum oscillations, which are sensitive to all scattering processes. We extract $l_{MR}$ from the Sondheimer amplitude in the topological semi-metal WP$_2$, at elevated temperatures up to $T\sim 50$~K, in a range most relevant for hydrodynamic transport phenomena. Our data on micrometer-sized devices are in excellent agreement with experimental reports of the large bulk $l_{MR}$ and thus confirm that WP$_2$ can be microfabricated without degradation. Indeed, the measured scattering rates match well with those of theoretically predicted electron-phonon scattering, thus supporting the notion of strong momentum exchange between electrons and phonons in WP$_2$ at these temperatures. These results conclusively establish Sondheimer oscillations as a quantitative probe of $l_{MR}$ in micro-devices in studying non-ohmic electron flow.

cond-mat.mes-hall↗

Topological Hall effect arising from the mesoscopic and microscopic non-coplanar magnetic structure in MnBi

The topological Hall effect (THE), induced by the Berry curvature, which originates from non-zero scalar spin chirality, is an important feature for mesoscopic topological structures, such as skyrmions. However, the THE might also arise from other microscopic non-coplanar spin structures in the lattice. Thus, the origin of the THE inevitably needs to be determined to fully understand skyrmions and find new host materials. Here, we examine the Hall effect in both bulk- and micron-sized lamellar samples of MnBi. The sample size affects the temperature and field range in which the THE is detectable. Although bulk sample exhibits the THE only upon exposure to weak fields in the easy-cone state, in thin lamella the THE exists across a wide temperature range and occurs at fields near saturation. Our results show that both the non-coplanar spin structure in the lattice and topologically non-trivial skyrmion bubbles are responsible for the THE, and that the dominant mechanism depends on the sample size. Hence, the magnetic phase diagram for MnBi is strongly size-dependent. Our study provides an example in which the THE is simultaneously induced by two mechanisms, and builds a bridge between mesoscopic and microscopic magnetic structures.

cond-mat.mes-hall↗

High-throughput calculations of magnetic topological materials

The discoveries of intrinsically magnetic topological materials, including semimetals with a large anomalous Hall effect and axion insulators, have directed fundamental research in solid-state materials. Topological quantum chemistry has enabled the understanding of and the search for paramagnetic topological materials. Using magnetic topological indices obtained from magnetic topological quantum chemistry (MTQC), here we perform a high-throughput search for magnetic topological materials based on first-principles calculations. We use as our starting point the Magnetic Materials Database on the Bilbao Crystallographic Server, which contains more than 549 magnetic compounds with magnetic structures deduced from neutron-scattering experiments, and identify 130 enforced semimetals (for which the band crossings are implied by symmetry eigenvalues), and topological insulators. For each compound, we perform complete electronic structure calculations, which include complete topological phase diagrams using different values of the Hubbard potential. Using a custom code to find the magnetic co-representations of all bands in all magnetic space groups, we generate data to be fed into the algorithm of MTQC to determine the topology of each magnetic material. Several of these materials display previously unknown topological phases, including symmetry-indicated magnetic semimetals, three-dimensional anomalous Hall insulators and higher-order magnetic semimetals. We analyse topological trends in the materials under varying interactions: 60 per cent of the 130 topological materials have topologies sensitive to interactions, and the others have stable topologies under varying interactions. We provide a materials database for future experimental studies and open-source code for diagnosing topologies of magnetic materials.

cond-mat.mtrl-sci↗

Suppression of axionic charge density wave and onset of superconductivity in the chiral Weyl semimetal Ta$_2$Se$_8$I

A Weyl semimetal with strong electron-phonon interaction can show axionic coupling in its insulator state at low temperatures, owing to the formation of a charge density wave (CDW). Such a CDW emerges in the linear chain compound Weyl semimetal Ta$_2$Se$_8$I below 263 K, resulting in the appearance of the dynamical condensed-matter axion quasiparticle. In this study, we demonstrate that the interchain coupling in Ta$_2$Se$_8$I can be varied to suppress the CDW formation with pressure, while retaining the Weyl semimetal phase at high temperatures. Above 17 GPa, the Weyl semimetal phase does not survive and we induce superconductivity, due to the amorphization of the iodine sub-lattice. Structurally, the one-dimensional Ta-Se-chains remain intact and provide a superconducting channel in one dimension. We highlight that our results show a near-complete suppression of the gap induced by the axionic charge-density wave at pressures inaccessible to previous studies. Including this CDW phase, our experiments and theoretical predictions and analysis reveal the complete topological phase diagram of Ta$_2$Se$_8$I and its relationship to the nearby superconducting state. The results demonstrate Ta$_2$Se$_8$I to be a distinctively versatile platform for exploring correlated topological states.

cond-mat.supr-con↗

New highly-anisotropic Rh-based Heusler compound for magnetic recording

The development of high-density magnetic recording media is limited by the superparamagnetism in very small ferromagnetic crystals. Hard magnetic materials with strong perpendicular anisotropy offer stability and high recording density. To overcome the difficulty of writing media with a large coercivity, heat assisted magnetic recording (HAMR) has been developed, rapidly heating the media to the Curie temperature Tc before writing, followed by rapid cooling. Requirements are a suitable Tc, coupled with anisotropic thermal conductivity and hard magnetic properties. Here we introduce Rh2CoSb as a new hard magnet with potential for thin film magnetic recording. A magnetocrystalline anisotropy of 3.6 MJm-3 is combined with a saturation magnetization of μ0Ms = 0.52 T at 2 K (2.2 MJm-3 and 0.44 T at room-temperature). The magnetic hardness parameter of 3.7 at room temperature is the highest observed for any rare-earth free hard magnet. The anisotropy is related to an unquenched orbital moment of 0.42 μB on Co, which is hybridized with neighbouring Rh atoms with a large spin-orbit interaction. Moreover, the pronounced temperature-dependence of the anisotropy that follows from its Tc of 450 K, together with a high thermal conductivity of 20 Wm-1K-1, makes Rh2CoSb a candidate for development for heat assisted writing with a recording density in excess of 10 Tb/in2.

cond-mat.mtrl-sci↗

Phase transition in the magnetocrystalline anisotropy of tetragonal Heusler alloys: Rh$_2T$Sb, $T=$ Fe, Co

This work reports on first principles calculations of the electronic and magnetic structure of tetragonal Heusler compounds with the composition Rh$_2$Fe$_{x}$Co$_{1-x}$Sb ($0\leq x\leq1$). It is found that the magnetic moments increase from 2 to 3.4~$μ_B$ and the Curie temperature decreases from 500 to 464~K with increasing Fe content $x$. The $3d$ transition metals make the main contribution to the magnetic moments, whereas Rh contributes only approximately 0.2~$μ_B$ per atom, independent of the composition. The paper focuses on the magnetocrystalline anisotropy of the borderline compounds Rh$_2$FeSb, Rh$_2$Fe$_{0.5}$Co$_{0.5}$Sb, and Rh$_2$CoSb. A transition from easy-axis to easy-plane anisotropy is observed when the composition changes from Rh$_2$CoSb to Rh$_2$FeSb. The transition occurs at an iron concentration of approximately 40\%.

cond-mat.mtrl-sci↗

Hard Magnetic Topological Semimetals in XPt3: Harmony of Berry Curvature

Topological magnetic semimetals, like Co3Sn2S2 and Co2MnGa, are known to display exotic transport properties, such as large intrinsic anomalous (AHE) due to uncompensated Berry curvature. The highly symmetric XPt3 compounds display anti-crossing gapped nodal lines, which are a driving mechanism in the intrinsic Berry curvature Hall effects. Uniquely, these compounds contain two sets of gapped nodal lines that harmoniously dominate the Berry curvature in this complex multiband system. We calculate a maximum AHE of 1965 S/cm in the CrPt3 by a state-of-the-art first principle electronic structure. We have grown high-quality thin films by magnetron sputtering and measured a robust AHE of 1750 S/cm for different sputtering growth conditions. Additionally, the cubic films display a hard magnetic axis along [111] direction. The facile and scalable fabrication of these materials is prime candidates for integration into topological devices.

cond-mat.mtrl-sci↗

Role of magnetic exchange interactions in chiral-type Hall effects of epitaxial Mn$_{x}$PtSn films

Tetragonal Mn-based Heusler compounds feature rich exchange interactions and exotic topological magnetic textures, such as antiskyrmions, complimented by the chiral-type Hall effects. This makes the material class interesting for device applications. We report the relation of the magnetic exchange interactions to the thickness and Mn concentration of Mn$_{x}$PtSn films, grown by magnetron sputtering. The competition of the magnetic exchange interactions determines the finite temperature magnetic texture and thereby the chiral-type Hall effects in external magnetic fields. We investigate the magnetic and transport properties as a function of magnetic field and temperature. We focus on the anomalous and chiral-type Hall effects and the behavior of the dc-magnetization, in relation to chiral spin textures. We further determine the stable crystal phase for a relative Mn concentration between 1.5 and 1.85 in the $I\overline{4}2d$ structure. We observe a spin-reorientation transition in all compounds studied, which is due to the competition of exchange interactions on different Mn sublattices. We discuss our results in terms of exchange interactions and compare them with theoretical atomistic spin calculations.

cond-mat.mtrl-sci↗

Evidence for dominant phonon-electron scattering in Weyl semimetal WP$_{2}$

Topological semimetals have revealed a wide array of novel transport phenomena, including electron hydrodynamics, quantum field theoretic anomalies, and extreme magnetoresistances and mobilities. However, the scattering mechanisms central to these behaviors remain largely unexplored. Here we reveal signatures of significant phonon-electron scattering in the type-II Weyl semimetal WP$_{2}$ via temperature-dependent Raman spectroscopy. Over a large temperature range, we find that the decay rates of the lowest energy $A_{1}$ modes are dominated by phonon-electron rather than phonon-phonon scattering. In conjunction with first-principles calculations, a combined analysis of the momentum, energy, and symmetry-allowed decay paths indicates this results from intraband scattering of the electrons. The excellent agreement with theory further suggests that such results could be true for the acoustic modes. We thus provide evidence for the importance of phonons in the transport properties of topological semimetals and identify specific properties that may contribute to such behavior in other materials.

cond-mat.mtrl-sci↗

Observation and control of maximal Chern numbers in a chiral topological semimetal

Topological semimetals feature protected nodal band degeneracies characterized by a topological invariant known as the Chern number (C). Nodal band crossings with linear dispersion are expected to have at most |C|=4, which sets an upper limit to the magnitude of many topological phenomena in these materials. Here we show that the chiral crystal PdGa displays multifold band crossings, which are connected by exactly four surface Fermi-arcs, thus proving that they carry the maximal Chern number magnitude of 4. By comparing two enantiomers, we observe a reversal of their Fermi-arc velocities, which demonstrates that the handedness of chiral crystals can be used to control the sign of their Chern numbers.

cond-mat.mes-hall↗

Effect of uniaxial stress on the electronic band structure of NbP

The Weyl semimetal NbP exhibits a very small Fermi surface consisting of two electron and two hole pockets, whose fourfold degeneracy in $k$ space is tied to the rotational symmetry of the underlying tetragonal crystal lattice. By applying uniaxial stress, the crystal symmetry can be reduced, which successively leads to a degeneracy lifting of the Fermi-surface pockets. This is reflected by a splitting of the Shubnikov-de Haas frequencies when the magnetic field is aligned along the $c$ axis of the tetragonal lattice. In this study, we present the measurement of Shubnikov-de Haas oscillations of single-crystalline NbP samples under uniaxial tension, combined with state-of-the-art calculations of the electronic band structure. Our results show qualitative agreement between calculated and experimentally determined Shubnikov-de Haas frequencies, demonstrating the robustness of the band-structure calculations upon introducing strain. Furthermore, we predict a significant shift of the Weyl points with increasing uniaxial tension, allowing for an effective tuning to the Fermi level at only 0.8% of strain along the $a$ axis.

cond-mat.mtrl-sci↗

Establishing the carrier scattering phase diagram for ZrNiSn-based half-Heusler thermoelectric materials

Chemical doping is one of the most important strategies for tuning electrical properties of semiconductors, particularly thermoelectric materials. Generally, the main role of chemical doping lies in optimizing the carrier concentration, but there can potentially be other important effects. Here, we show that chemical doping plays multiple roles for both electron and phonon transport properties in half-Heusler thermoelectric materials. With ZrNiSn-based half-Heusler materials as an example, we use high-quality single and polycrystalline crystals, various probes, including electrical transport measurements, inelastic neutron scattering measurement, and first-principles calculations, to investigate the underlying electron-phonon interaction. We find that chemical doping brings strong screening effects to ionized impurities, grain boundary, and polar optical phonon scattering, but has negligible influence on lattice thermal conductivity. Furthermore, it is possible to establish a carrier scattering phase diagram, which can be used to select reasonable strategies for optimization of the thermoelectric performance.

cond-mat.mtrl-sci↗

Detection of antiskyrmions by topological Hall effect in Heusler compounds

Heusler compounds having $\textit{D}$${}_{2d}$ crystal symmetry gained much attention recently due to the stabilization of a vortex-like spin texture called antiskyrmions in thin lamellae of Mn${}_{1.4}$Pt${}_{0.9}$Pd${}_{0.1}$Sn as reported in the work of Nayak $\textit{et al.}$ [Nature (London) 548, 561 (2017)]. Here we show that bulk Mn${}_{1.4}$Pt${}_{0.9}$Pd${}_{0.1}$Sn undergoes a spin-reorientation transition from a collinear ferromagnetic to a noncollinear configuration of Mn moments below 135 K, which is accompanied by the emergence of a topological Hall effect. We tune the topological Hall effect in Pd and Rh substituted Mn${}_{1.4}$PtSn Heusler compounds by changing the intrinsic magnetic properties and spin textures. A unique feature of the present system is the observation of a zero-field topological Hall resistivity with a sign change which indicates the robust formation of antiskyrmions.

cond-mat.mtrl-sci↗

An ab-initio study of circular photogalvanic effect in chiral multifold semimetals

So far, the circular photogalvanic effect (CPGE) is the only possible quantized signal in Weyl semimetals. With inversion and mirror symmetries broken, Weyl and multifold fermions in band structures with opposite chiralities can stay at different energies and generate a net topological charge. Such kind of net topological charge can present as a quantized signal in the circular polarized light induced injection current. According to current theoretical understanding, RhSi and its counterparts are believed to be the most promising candidate for the experimental observation of the quantized CPGE. However, the real quantized signal was not experimentally observed to date. Since all the previous theoretical studies for the quantized CPGE were based on effective model but not realistic band structures, it should lose some crucial details that influence the quantized signal. The current status motives us to perform a realistic ab-initio study for the CPGE. Our result shows that the quantized value is very easy to be interfered by trivial bands related optic transitions, and an fine tuning of the chemical potential by doping is essential for the observation of quantized CPGE. This work performs the first ab-initio analysis for the quantized CPGE based on realistic electronic band structure and provides an effective way to solve the current problem for given materials.

cond-mat.mtrl-sci↗

Direct observation of handedness-dependent quasiparticle interference in the two enantiomers of topological chiral semimetal PdGa

It has recently been proposed that combining chirality with topological band theory may result in a totally new class of fermions. These particles have distinct properties: they appear at high symmetry points of the reciprocal lattice, they are connected by helicoidal surface Fermi arcs spanning the entire Brillouin zone, and they are expected to exist over a large energy range. Additionally, they are expected to give rise to totally new effects forbidden in other topological classes. Understanding how these unconventional quasiparticles propagate and interact is crucial for exploiting their potential in innovative chirality-driven device architectures. These aspects necessarily rely on the detection of handedness-dependent effects in the two enantiomers and remain largely unexplored so far. Here, we use scanning tunnelling microscopy to visualize the electronic properties of both enantiomers of the prototypical chiral topological semimetal PdGa at the atomic scale. We reveal that the surface-bulk connectivity goes beyond ensuring the existence of topological Fermi arcs, but also determines how quasiparticles propagate and scatter at impurities, giving rise to chiral quantum interference patterns of opposite handedness and opposite spiralling direction for the two different enantiomers, a direct manifestation of the change of sign of their Chern number. Additionally, we demonstrate that PdGa remains topologically non-trivial over a large energy range, experimentally detecting Fermi arcs in an energy window of more than 1.6 eV symmetrically centerd around the Fermi level. These results are rationalized in terms of the deep connection between chirality in real and reciprocal space in this class of materials, and they allow to identify PdGa as an ideal topological chiral semimetal.

cond-mat.mes-hall↗

Crystal Growth of Spin-Frustrated Ba4Nb0.8Ir3.2O12: A Possible Spin Liquid Material

Polycrystalline Ba4NbIr3O12 has recently been shown to be a promising spin liquid candidate. We report an easy and reliable method to grow millimeter-sized single crystals of this trimer based spin liquid candidate material with the actual stoichiometry of Ba4Nb0.8Ir3.2O12. The growth of large crystals is achieved using BaCl2 as flux. The crystals show hexagonal plate-like habit with edges up to 3 mm in length. The structure is confirmed by single crystal X-ray diffraction and is found to be the same as of previously reported phase Ba12Nb2.4Ir9.6O36 [Ba4Nb0.8Ir3.2O12], indeed with a mixed occupancy of Nb/Ir at 3a site. The magnetic and calorimetric study on the individual single crystals confirms the possibility of a spin liquid state consistent with a recent report on a polycrystalline sample

cond-mat.mtrl-sci↗

Water structure near the surface of Weyl semimetals as catalysts in photocatalytic proton reduction

In this work, second-generation Car-Parrinello-based QM/MM molecular dynamics simulations of small nanoparticles of NbP, NbAs, TaAs and 1T-TaS$_2$ in water are presented. The first three materials are topological Weyl semimetals, which were recently discovered to be active catalysts in photocatalytic water splitting. The aim of this research was to correlate potential differences in the water structure in the vicinity of the nanoparticle surface with the photocatalytic activity of these materials in light induced proton reduction. The results presented herein allow to explain the catalytic activity of these Weyl semimetals: the most active material, NbP, exhibits a particularly low water coordination near the surface of the nanoparticle, whereas for 1T-TaS$_2$, with the lowest catalytic activity, the water structure at the surface is most ordered. In addition, the photocatalytic activity of several organic and metalorganic photosensitizers in the hydrogen evolution reaction was experimentally investigated with NbP as proton reduction catalyst. Unexpectedly, the charge of the photosensitizer plays a decisive role for the photocatalytic performance.

physics.chem-ph↗

Thermopower and Unconventional Nernst in the Predicted Type-II Weyl Semi-metal WTe$_2$

WTe$_2$ is one of a series of recently discovered high mobility semimetals, some of whose properties are characteristic of topological Dirac or Weyl metals. One of its most interesting properties is the unsaturated giant magnetoresistance that it exhibits at low temperatures. An important question is the degree to which this property can be ascribed to a conventional semi-metallic model in which a highly compensated, high mobility metal exhibits large magnetoresistance. Here we show that the longitudinal thermopower (Seebeck effect) of semi-metallic WTe$_2$ exfoliated flakes exhibits periodic sign changes about zero with increasing magnetic field that indicates distinct electron and hole Landau levels and nearly fully compensated electron and hole carrier densities. However, inconsistent with a conventional semi-metallic picture, we find a rapid enhancement of the Nernst effect at low temperatures that is nonlinear in magnetic field, which is consistent with Weyl points in proximity to the Fermi energy. Hence, we demonstrate the role played by the Weyl character of WTe$_2$ in its transport properties.

cond-mat.mes-hall↗