arXiv subjects

Claudia Felser

Publications and source records attributed to Claudia Felser.

At least 289 records · Page 16Linked to original sources

arXiv2017

Electronic properties of topological insulator candidate CaAgAs

The topological phases of matter provide the opportunity to observe many exotic properties, like the existence of two dimensional topological surface states in the form of Dirac cone in topological insulators, chiral transport through open Fermi arc in Weyl semimetals etc. However, these properties can only affect the transport characteristics and therefore can be useful for applications only if the topological phenomena occur near the Fermi level. CaAgAs is a promising candidate, wherein the ab-initio calculations predict line-node at the Fermi level which on including spin-orbit coupling transforms into a topological insulator. In this report, we study the electronic structure of CaAgAs with angle resolved photoemission spectroscopy (ARPES), ab-initio calculations and transport measurements. The ARPES results show that the bulk valence band crosses the Fermi energy at gamma-point and the band dispersion matches the ab-initio calculations closely on shifting the Fermi energy by -0.5 eV. ARPES results are in good agreement with our transport measurements which show abundant p-type carriers.

cond-mat.mtrl-sci↗

arXiv2017

Extremely high magnetoresistance and conductivity in the type-II Weyl semimetals WP2 and MoP2

The peculiar band structure of semimetals exhibiting Dirac and Weyl crossings can lead to spectacular electronic properties such as large mobilities accompanied by extremely high magnetoresistance. In particular, two closely neighbouring Weyl points of the same chirality are protected from annihilation by structural distortions or defects, thereby significantly reducing the scattering probability between them. Here we present the electronic properties of the transition metal diphosphides, WP2 and MoP2, that are type-II Weyl semimetals with robust Weyl points. We present transport and angle resolved photoemission spectroscopy measurements, and first principles calculations. Our single crystals of WP2 display an extremely low residual low-temperature resistivity of 3 nohm-cm accompanied by an enormous and highly anisotropic magnetoresistance above 200 million % at 63 T and 2.5 K. These properties are likely a consequence of the novel Weyl fermions expressed in this compound. We observe a large suppression of charge carrier backscattering in WP2 from transport measurements.

cond-mat.mtrl-sci↗

arXiv2017

Temperature-dependent charge transport in the compensated ferrimagnet Mn$_{1.5}$V$_{0.5}$FeAl from first principles

We present an ab-initio study of the temperature-dependent longitudinal and anomalous Hall resistivities in the compensated collinear ferrimagnet Mn$_{1.5}$V$_{0.5}$FeAl. Its transport properties are calculated using the general fully relativistic Kubo--Bastin formalism and their temperature dependency is accounted for magnetic and structural disorder. Both scattering sources, together with the residual chemical disorder, were treated equally provided by the CPA (Coherent Potential Approximation) SPR-KKR (Spin-Polarized Relativistic Korringa-Kohn-Rostoker) method. All calculated properties showed good agreement with a recent experimental results, providing useful specific information on the chemical and magnetic arrangement as well as on the influence of disorder. Finally, we demonstrated that the anomalous Hall effect in such compensated systems occurs regardless of the vanishing net spin moment.

cond-mat.mtrl-sci↗

arXiv2017

Manifestation of the Berry curvature in Co2TiSn Heusler films

Various Co2 based Heusler compounds are predicted to be Weyl materials. These systems with broken symmetry possess a large Berry curvature, and introduce exotic transport properties. The present study on epitaxially grown Co2TiSn films is an initial approach to understand and explore this possibility. The anomalous Hall effect in the well-ordered Co2TiSn films has been investigated both experimentally and theoretically. The measured Hall conductivity is in good agreement to the calculated Berry curvature. Small deviations between them are due to the influence of skew scattering on the Hall effect. From theoretical point of view, the main contribution to the anomalous Hall effect originates from slightly gapped nodal lines, due to a symmetry reduction induced by the magnetization. It has been found that only part of the nodal lines contributed near to the anomalous Hall conductivity at a fixed Fermi energy which can be explained from a magnetic symmetry analysis. Furthermore, from hard x-ray photoelectron spectroscopy measurements, we establish the electronic structure in the film that is comparable to the theoretical density of states calculations. The present results provide deeper insight into the spintronics from the prospect of topology.

cond-mat.mtrl-sci↗

arXiv2017

Magnetic field induced strong valley polarization in the three dimensional topological semimetal LaBi

LaBi is a three-dimensional rocksalt-type material with a surprisingly quasi-two-dimensional electronic structure. It exhibits excellent electronic properties such as the existence of nontrivial Dirac cones, extremely large magnetoresistance, and high charge-carrier mobility. The cigar-shaped electron valleys make the charge transport highly anisotropic when the magnetic field is varied from one crystallographic axis to another. We show that the electrons can be polarized effectively in these electron valleys under a rotating magnetic field. We achieved a polarization of 60% at 2 K despite the coexistence of three-dimensional hole pockets. The valley polarization in LaBi is compared to the sister compound LaSb where it is found to be smaller. The performance of LaBi is comparable to the highly efficient bismuth.

cond-mat.mtrl-sci↗

arXiv2017

Double crystallographic groups and their representations on the Bilbao Crystallographic Server

A new section of databases and programs devoted to double crystallographic groups (point and space groups) has been implemented in the Bilbao Crystallographic Server (http://www.cryst.ehu.es). The double crystallographic groups are required in the study of physical systems whose Hamiltonian includes spin-dependent terms. In the symmetry analysis of such systems, instead of the irreducible representations of the space groups, it is necessary to consider the single- and double-valued irreducible representations of the double space groups. The new section includes databases of symmetry operations (DGENPOS) and of irreducible representations of the double (point and space) groups (REPRESENTATIONS DPG and REPRESENTATIONS DSG). The tool DCOMPATIBILITY RELATIONS provides compatibility relations between the irreducible representations of double space groups at different k-vectors of the Brillouin zone when there is a group-subgroup relation between the corresponding little groups. The program DSITESYM implements the so-called site-symmetry approach, which establishes symmetry relations between localized and extended crystal states, using representations of the double groups. As an application of this approach, the program BANDREP calculates the band representations and the elementary band representations induced from any Wyckoff position of any of the 230 double space groups, giving information about the properties of these bands. Recently, the results of BANDREP have been extensively applied in the description and the search of topological insulators.

cond-mat.mes-hall↗

arXiv2017

Pressure-induced magnetic collapse and metallization of $\mathrm{TlF}{\mathrm{e}}_{1.6}\mathrm{S}{\mathrm{e}}_{2}$

The crystal structure, magnetic ordering, and electrical resistivity of TlFe1.6Se2 were studied at high pressures. Below ~7 GPa, TlFe1.6Se2 is an antiferromagnetically ordered semiconductor with a ThCr2Si2-type structure. The insulator-to-metal transformation observed at a pressure of ~ 7 GPa is accompanied by a loss of magnetic ordering and an isostructural phase transition. In the pressure range ~ 7.5 - 11 GPa a remarkable downturn in resistivity, which resembles a superconducting transition, is observed below 15 K. We discuss this feature as the possible onset of superconductivity originating from a phase separation in a small fraction of the sample in the vicinity of the magnetic transition.

cond-mat.supr-con↗

arXiv2017

Hidden type-II Weyl points in the Weyl semimetal NbP

As one of Weyl semimetals discovered recently, NbP exhibits two groups of Weyl points with one group lying inside the $k_z=0$ plane and the other group staying away from this plane. All Weyl points have been assumed to be type-I, for which the Fermi surface shrinks into a point as the Fermi energy crosses the Weyl point. In this work, we have revealed that the second group of Weyl points are actually type-II, which are found to be touching points between the electron and hole pockets in the Fermi surface. Corresponding Weyl cones are strongly tilted along a line approximately $17^\circ$ off the $k_z$ axis in the $k_x - k_z$ (or $k_y - k_z$) plane, violating the Lorentz symmetry but still giving rise to Fermi arcs on the surface. Therefore, NbP exhibits both type-I ($k_z=0$ plane) and type-II ($k_z \neq 0$ plane) Weyl points.

cond-mat.mtrl-sci↗

arXiv2017

Superconductivity in alkaline earth metal-filled skutterudites BaxIr4X12 (X = As, P)

We report superconductive iridium pnictides BaxIr4X12 (X = As and P) with a filled skutterudite structure, demonstrating that Ba filling dramatically alters their electronic properties and induces a nonmetal-to-metal transition with increasing the Ba content x. The highest superconducting transition temperatures are 4.8 and 5.6 K observed for BaxIr4As12 and BaxIr4P12, respectively. The superconductivity in BaxIr4X12 can classified into the Bardeen-Cooper-Schrieffer type with intermediate coupling.

cond-mat.supr-con↗

arXiv2017

Dirac dispersion generates large Nernst effect in Weyl semimetals

Weyl semimetals expand research on topologically protected transport by adding bulk Berry monopoles with linearly dispersing electronic states and topologically robust, gapless surface Fermi arcs terminating on bulk node projections. Here, we show how the Nernst effect, combining entropy with charge transport, gives a unique signature for the presence of Dirac bands. The Nernst thermopower of NbP (maximum of 800 microV K-1 at 9 T, 109 K) exceeds its conventional thermopower by a hundredfold and is significantly larger than the thermopower of traditional thermoelectric materials. The Nernst effect has a pronounced maximum near T_M=90 +/- 20 K=mu_0/kB (mu_0 is chemical potential at T=0 K). A self-consistent theory without adjustable parameters shows that this results from electrochemical potential pinning to the Weyl point energy at T>=TM, driven by charge neutrality and Dirac band symmetry. Temperature and field dependences of the Nernst effect, an even function of the charge polarity, result from the intrinsically bipolar nature of the Weyl fermions. Through this study, we offer an understanding of the temperature dependence of the position of the electrochemical potential vis-a-vis the Weyl point, and we show a direct connection between topology and the Nernst effect, a potentially robust experimental tool for investigating topological states and the chiral anomaly.

cond-mat.mes-hall↗

arXiv2017

Proximity-induced superconductivity and quantum interference in topological crystalline insulator SnTe thin film devices

Topological crystalline insulators represent a new state of matter, in which the electronic transport is governed by mirror-symmetry protected Dirac surface states. Due to the helical spin-polarization of these surface states, the proximity of topological crystalline matter to a nearby superconductor is predicted to induce unconventional superconductivity and thus to host Majorana physics. We report on the preparation and characterization of Nb-based superconducting quantum interference devices patterned on top of topological crystalline insulator SnTe thin films. The SnTe films show weak antilocalization and the weak links of the SQUID fully-gapped proximity induced superconductivity. Both properties give a coinciding coherence length of 120 nm. The SQUID oscillations induced by a magnetic field show 2$π$ periodicity, possibly dominated by the bulk conductivity.

cond-mat.mes-hall↗

arXiv2017

Optical signature of Weyl electronic structures in tantalum pnictides Ta$Pn$ ($Pn=$ P, As)

To investigate the electronic structure of Weyl semimetals Ta$Pn$ ($Pn=$P, As), optical conductivity [$σ(ω)$] spectra are measured over a wide range of photon energies and temperatures, and these measured values are compared with band calculations. Two significant structures can be observed: a bending structure at $\hbarω\sim$85 meV in TaAs, and peaks at $\hbarω\sim$ 50 meV (TaP) and $\sim$30 meV (TaAs). The bending structure can be explained by the interband transition between saddle points connecting a set of $W_2$ Weyl points. The temperature dependence of the peak intensity can be fitted by assuming the interband transition between saddle points connecting a set of $W_1$ Weyl points. Owing to the different temperature dependence of the Drude weight in both materials, it is found that the Weyl points of TaAs are located near the Fermi level, whereas those of TaP are further away.

cond-mat.mtrl-sci↗

arXiv2017

Prediction of triple point fermions in simple half-Heusler topological insulators

We predict the existence of triple point fermions in the band structure of several half-Heusler topological insulators by $ab~initio$ calculations and the Kane model. We find that many half-Heusler compounds exhibit multiple triple points along four independent $C_3$ axes, through which the doubly degenerate conduction bands and the nondegenerate valence band cross each other linearly nearby the Fermi energy. When projected from the bulk to the (111) surface, most of these triple points are located far away from the surface $\barΓ$ point, as distinct from previously reported triple point fermion candidates. These isolated triple points give rise to Fermi arcs on the surface, that can be readily detected by photoemission spectroscopy or scanning tunneling spectroscopy.

cond-mat.mtrl-sci↗

arXiv2017

Heteroepitaxial growth of tetragonal Mn$_{2.7-x}$Fe$_{x}$Ga$_{1.3}$ (0 $\leqslant$ x $\leqslant$ 1.2) Heusler films with perpendicular magnetic anisotropy

This work reports on the structural and magnetic properties of Mn$_{2.7-x}$Fe$_{x}$Ga$_{1.3}$ Heusler films with different Fe content x (0 $\leqslant$ x $\leqslant$ 1.2). The films were deposited heteroepitaxially on MgO single crystal substrates, by magnetron sputtering. Mn$_{2.7-x}$Fe$_{x}$Ga$_{1.3}$ films with the thickness of 35 nm were crystallized in tetragonal D0$_{22}$ structure with (001) preferred orientation. Tunable magnetic properties were achieved by changing the Fe content x. Mn$_{2.7-x}$Fe$_{x}$Ga$_{1.3}$ thins films exhibit high uniaxial anisotropy Ku $\geqslant$ 1.4 MJ/m3, coercivity from 0.95 to 0.3 T and saturation magnetization from 290 to 570 kA/m. The film with Mn$_{1.6}$Fe$_{1.1}$Ga$_{1.3}$ composition shows high Ku of 1.47 MJ/m3 and energy product ${(BH)_{max}}$ of 37 kJ/m3, at room temperature. These findings demonstrate that Mn$_{2.7-x}$Fe$_{x}$Ga$_{1.3}$ films have promising properties for mid-range permanent magnet and spintronic applications.

cond-mat.mtrl-sci↗

arXiv2017

A critical study of the elastic properties and stability of Heusler compounds: Cubic Co$_{2}YZ$ compounds with $L2_{1}$ structure

Elastic constants and their derived properties of various cubic Heusler compounds were calculated using first-principles density functional theory. To begin with, Cu$_2$MnAl is used as a case study to explain the interpretation of the basic quantities and compare them with experiments. The main part of the work focuses on Co$_2$-based compounds that are Co$_2$Mn$M$ with the main group elements $M=$~Al, Ga, In, Si, Ge, Sn, Pb, Sb, Bi, and Co$_2TM$ with the main group elements Si or Ge, and the $3d$ transition metals $T=$~Sc, Ti, V, Cr, Mn, and Fe. It is found that many properties of Heusler compounds correlate to the mass or nuclear charge $Z$ of the main group element. Blackman's and Every's diagrams are used to compare the elastic properties of the materials, whereas Pugh's and Poisson's ratios are used to analyze the relationship between interatomic bonding and physical properties. It is found that the {\it Pugh's criterion} on brittleness needs to be revised whereas {\it Christensen's criterion} describes the ductile--brittle transition of Heusler compounds very well. The calculated elastic properties give hint on a metallic bonding with an intermediate brittleness for the studied Heusler compounds. The universal anisotropy of the stable compounds has values in the range of $0.57 <A_U <2.73$. The compounds with higher $A_U$ values are found close to the middle of the transition metal series. In particular, Co$_2$ScAl with $A_U=0.01$ is predicted to be an isotropic material that comes closest to an ideal Cauchy solid as compared to the remaining Co$_2$-based compounds. Apart from the elastic constants and moduli, the sound velocities, Debye temperatures, and hardness are predicted and discussed for the studied systems. The calculated slowness surfaces for sound waves reflect the degree of anisotropy of the compounds.

cond-mat.mtrl-sci↗

arXiv2017

A critical study of the elastic properties and stability of Heusler compounds: Phase change and tetragonal $X_{2}YZ$ compounds

In the present work, the elastic constants and derived properties of tetragonal and cubic Heusler compounds were calculated using the high accuracy of the full-potential linearized augmented plane wave (FPLAPW). To find the criteria required for an accurate calculation, the consequences of increasing the numbers of $k$-points and plane waves on the convergence of the calculated elastic constants were explored. Once accurate elastic constants were calculated, elastic anisotropies, sound velocities, Debye temperatures, malleability, and other measurable physical properties were determined for the studied systems. The elastic properties suggested metallic bonding with intermediate malleability, between brittle and ductile, for the studied Heusler compounds. To address the effect of off-stoichiometry on the mechanical properties, the virtual crystal approximation (VCA) was used to calculate the elastic constants. The results indicated that an extreme correlation exists between the anisotropy ratio and the stoichiometry of the Heusler compounds, especially in the case of Ni$_{2}$MnGa.

cond-mat.mtrl-sci↗

arXiv2017

Strong, anisotropic anomalous Hall effect and spin Hall effect in chiral antiferromagnetic compounds Mn$_3X$ ($X$ = Ge, Sn, Ga, Ir, Rh and Pt)

We have carried out a comprehensive study of the intrinsic anomalous Hall effect and spin Hall effect of several chiral antiferromagnetic compounds, Mn$_3X$ ($X$ = Ge, Sn, Ga, Ir, Rh and Pt) by $ab~initio$ band structure and Berry phase calculations. These studies reveal large and anisotropic values of both the intrinsic anomalous Hall effect and spin Hall effect. The Mn$_3X$ materials exhibit a non-collinear antiferromagnetic order which, to avoid geometrical frustration, forms planes of Mn moments that are arranged in a Kagome-type lattice. With respect to these Kagome planes, we find that both the anomalous Hall conductivity (AHC) and the spin Hall conductivity (SHC) are quite anisotropic for any of these materials. Based on our calculations, we propose how to maximize AHC and SHC for different materials. The band structures and corresponding electron filling, that we show are essential to determine the AHC and SHC, are compared for these different compounds. We point out that Mn$_3$Ga shows a large SHC of about 600 $(\hbar/e)(Ω\cdot cm)^{-1}$. Our work provides insights into the realization of strong anomalous Hall effects and spin Hall effects in chiral antiferromagetic materials.

cond-mat.mtrl-sci↗

arXiv2017

Experimental signatures of the mixed axial-gravitational anomaly in the Weyl semimetal NbP

Weyl semimetals are materials where electrons behave effectively as a kind of massless relativistic particles known asWeyl fermions. These particles occur in two flavours, or chiralities, and are subject to quantum anomalies, the breaking of a conservation law by quantum fluctuations. For instance, the number of Weyl fermions of each chirality is not independently conserved in parallel electric and magnetic field, a phenomenon known as the chiral anomaly. In addition, an underlying curved spacetime provides a distinct contribution to a chiral imbalance, an effect known as the mixed axial-gravitational anomaly, which remains experimentally elusive. However, the presence of a mixed gauge-gravitational anomaly has recently been tied to thermoelectrical transport in a magnetic field, even in flat spacetime, opening the door to experimentally probe such type of anomalies in Weyl semimetals. Using a temperature gradient, we experimentally observe a positive longitudinal magnetothermoelectric conductance (PMTC) in the Weyl semimetal NbP for collinear temperature gradients and magnetic fields (DT || B) that vanishes in the ultra quantum limit. This observation is consistent with the presence of a mixed axial-gravitational anomaly. Our work provides clear experimental evidence for the existence of a mixed axial-gravitational anomaly of Weyl fermions, an outstanding theoretical concept that has so far eluded experimental detection.

cond-mat.mtrl-sci↗