arXiv subjects

Claudia Felser

Publications and source records attributed to Claudia Felser.

At least 199 records · Page 11Linked to original sources

arXiv2021

Suppression of second-harmonic generation from linear bands in the topological multifold semimetal RhSi

Recent experiments in the topological Weyl semimetal TaAs have observed record-breaking second-harmonic generation, a non-linear optical response at $2ω$ generated by an incoming light source at $ω$. However, whether second-harmonic generation is enhanced in topological semimetals in general is a challenging open question because their band structure entangles the contributions arising from trivial bands and topological band crossings. In this work, we circumvent this problem by studying RhSi, a chiral topological semimetal with a simple band structure with topological multifold fermions close to the Fermi energy. We measure second-harmonic generation (SHG) in a wide frequency window, $ω\in [0.27,1.5]$eV and, using first principle calculations, we establish that, due to their linear dispersion, the contribution of multifold fermions to SHG is subdominant as compared with other regions in the Brillouin zone. Our calculations suggest that parts of the bands where the dispersion is relatively flat contribute significantly to SHG. As a whole, our results suggest avenues to enhance SHG responses.

cond-mat.mtrl-sci↗

arXiv2021

A Charge-Density-Wave Topological Semimetal

Topological physics and strong electron-electron correlations in quantum materials are typically studied independently. However, there have been rapid recent developments in quantum materials in which topological phase transitions emerge when the single-particle band structure is modified by strong interactions. We here demonstrate that the room-temperature phase of (TaSe$_4$)$_2$I is a Weyl semimetal with 24 pairs of Weyl nodes. Owing to its quasi-1D structure, (TaSe$_4$)$_2$I hosts an established CDW instability just below room temperature. Using X-ray diffraction, angle-resolved photoemission spectroscopy, and first-principles calculations, we find that the CDW in (TaSe$_4$)$_2$I couples the bulk Weyl points and opens a band gap. The correlation-driven topological phase transition in (TaSe$_4$)$_2$I provides a route towards observing condensed-matter realizations of axion electrodynamics in the gapped regime, topological chiral response effects in the semimetallic phase, and represents an avenue for exploring the interplay of correlations and topology in a solid-state material.

cond-mat.mtrl-sci↗

arXiv2020

Anisotropic magneto-thermal transport in Co$_2$MnGa thin films

Ferromagnetic Co$_2$MnGa has recently attracted significant attention due to effects related to non-trivial topology of its band structure, however a systematic study of canonical magneto-galvanic transport effects is missing. Focusing on high quality thin films, here we systematically measure anisotropic magnetoresistance (AMR) and its thermoelectric counterpart (AMTP). We model the AMR data by free energy minimisation within the Stoner-Wohlfarth formalism and conclude that both crystalline and non-crystalline components of this magneto-transport phenomenon are present in Co$_2$MnGa. Unlike the AMR which is small in relative terms, the AMTP is large due to a change of sign of the Seebeck coefficient as a function of temperature. This fact is discussed in the context of the Mott rule and further analysis of AMTP components is presented.

cond-mat.mtrl-sci↗

arXiv2020

Anomalous Nernst effect and field-induced Lifshitz transition in Weyl semimetals TaP and TaAs

The discovery of Weyl fermions in transition metal monoarsenides/phosphides without inversion symmetry represents an exceptional breakthrough in modern condensed matter physics. However, exploring the inherent nature of these quasiparticles is experimentally elusive because most of the experimental probes rely on analysing Fermi arc topology or controversial signatures such as the appearance of the chiral anomaly and the giant magnetoresistance. Here we show that the prototypical type-I Weyl semimetals TaP and TaAs possess a giant anomalous Nernst signal with a characteristic saturation plateau beyond a critical field which can be understood as a direct consequence of the finite Berry curvature originating from the Weyl points. Our results thus promote the Nernst coefficient as an ideal bulk probe for detecting and exploring the fingerprints of emergent Weyl physics.

cond-mat.mes-hall↗

arXiv2020

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↗

arXiv2020

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↗

arXiv2020

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↗

arXiv2020

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↗

arXiv2020

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↗

arXiv2020

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↗

arXiv2020

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↗

arXiv2020

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↗

arXiv2020

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↗

arXiv2020

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↗

arXiv2020

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↗

arXiv2020

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↗

arXiv2020

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↗

arXiv2020

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↗