arXiv subjects

Walter Schnelle

Publications and source records attributed to Walter Schnelle.

At least 55 records · Page 3Linked to original sources

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

Coexistence of magnetic order and valence fluctuations in the Kondo lattice system Ce$_2$Rh$_3$Sn$_5$

We report on the electronic band structure, structural, magnetic and thermal properties of Ce$_2$Rh$_3$Sn$_5$. Ce $L_{\mathrm{III}}$-edge XAS spectra give direct evidence for an intermediate valence behaviour. Thermodynamic measurements reveal magnetic transitions at $T_{\mathrm{N1}}\approx$ 2.9 K and $T_{\mathrm{N2}}\approx$ 2.4 K. Electrical resistivity shows behaviour typical for Kondo lattices. The coexistence of magnetic order and valence fluctuations in a Kondo lattice system we attribute to a peculiar crystal structure in which Ce ions occupy two distinct lattice sites. Analysis of the structural features of Ce$_2$Rh$_3$Sn$_5$, together with results of electronic band structure calculations and thermodynamic data indicate that Ce2 ions are in an intermediate valence state with the ground state electronic configuration close to 4$f^0$, whereas Ce1 ions are trivalent (4$f^1$) and contribute to the low temperature magnetic ordering. Thus, our joined experimental and theoretical investigations classify Ce$_2$Rh$_3$Sn$_5$ as a multivalent charge-ordered system.

cond-mat.str-el↗

arXiv2017

Pressure-induced superconductivity and topological quantum phase transitions in a quasi-one-dimensional topological insulator: Bi4I4

Superconductivity and topological quantum states are two frontier fields of research in modern condensed matter physics. The realization of superconductivity in topological materials is highly desired, however, superconductivity in such materials is typically limited to two- or three-dimensional materials and is far from being thoroughly investigated. In this work, we boost the electronic properties of the quasi-one-dimensional topological insulator bismuth iodide \b{eta}-Bi4I4 by applying high pressure. Superconductivity is observed in \b{eta}-Bi4I4 for pressures where the temperature dependence of the resistivity changes from a semiconducting-like behavior to that of a normal metal. The superconducting transition temperature Tc increases with applied pressure and reaches a maximum value of 6 K at 23 GPa, followed by a slow decrease. Our theoretical calculations suggest the presence of multiple pressure-induced topological quantum phase transitions as well as a structural-electronic instability.

cond-mat.supr-con↗

arXiv2017

Antiferromagnetic structure and electronic properties of BaCr2As2 and BaCrFeAs2

The chromium arsenides BaCr2As2 and BaCrFeAs2 with ThCr2Si2 type structure (space group I4/mmm; also adopted by '122' iron arsenide superconductors) have been suggested as mother compounds for possible new superconductors. DFT-based calculations of the electronic structure evidence metallic antiferromagnetic ground states for both compounds. By powder neutron diffraction we confirm for BaCr2As2 a robust ordering in the antiferromagnetic G-type structure at T_N = 580 K with mu_Cr = 1.9 mu_B at T = 2K. Anomalies in the lattice parameters point to magneto-structural coupling effects. In BaCrFeAs2 the Cr and Fe atoms randomly occupy the transition-metal site and G-type order is found below 265 K with mu_Cr/Fe = 1.1 mu_B. 57Fe Moessbauer spectroscopy demonstrates that only a small ordered moment is associated with the Fe atoms, in agreement with electronic structure calculations with mu_Fe ~ 0. The temperature dependence of the hyperfine field does not follow that of the total moments. Both compounds are metallic but show large enhancements of the linear specific heat coefficient gamma with respect to the band structure values. The metallic state and the electrical transport in BaCrFeAs2 is dominated by the atomic disorder of Cr and Fe and partial magnetic disorder of Fe. Our results indicate that Neel-type order is unfavorable for the Fe moments and thus it is destabilized with increasing iron content.

cond-mat.supr-con↗

arXiv2016

Topological quantum phase transition and superconductivity induced by pressure in the bismuth tellurohalide BiTeI

A pressure-induced topological quantum phase transition has been theoretically predicted for the semiconductor BiTeI with giant Rashba spin splitting. In this work, the evolution of the electrical transport properties in BiTeI and BiTeBr is investigated under high pressure. The pressure-dependent resistivity in a wide temperature range passes through a minimum at around 3 GPa, indicating the predicted transition in BiTeI. Superconductivity is observed in both BiTeI and BiTeBr while the resistivity at higher temperatures still exhibits semiconducting behavior. Theoretical calculations suggest that the superconductivity may develop from the multi-valley semiconductor phase. The superconducting transition temperature Tc increases with applied pressure and reaches a maximum value of 5.2 K at 23.5 GPa for BiTeI (4.8 K at 31.7 GPa for BiTeBr), followed by a slow decrease. Our results demonstrate that BiTeX (X = I, Br) compounds with non-trivial topology of electronic states display new ground states upon compression.

cond-mat.supr-con↗

arXiv2016

Superconducting gap structure of the skutterudite LaPt4Ge12 probed by specific heat and thermal transport

We investigated the superconducting order parameter of the filled skutterudite LaPt4Ge12, with a transition temperature of Tc = 8.3 K. To this end, we performed temperature and magnetic-field dependent specific-heat and thermal-conductivity measurements. All data are compatible with a single superconducting s-wave gap. However, a multiband scenario cannot be ruled out. The results are discussed in the context of previous studies on the substitution series Pr1-xLaxPt4Ge12. They suggest compatible order parameters for the two end compounds LaPt4Ge12 and PrPt4Ge12. This is not consistent with a single s-wave gap in LaPt4Ge12 considering previous reports of unconventional and/or multiband superconductivity in PrPt4Ge12.

cond-mat.supr-con↗

arXiv2016

Ternary borides Nb$_7$Fe$_3$B$_8$ and Ta$_7$Fe$_3$B$_8$ with Kagome-type iron framework

Two new ternary borides $TM$$_7$Fe$_3$B$_8$ ($TM$ = Nb, Ta) were synthesized by high-temperature thermal treatment of samples obtained by arc-melting. This new type of structure with space group $P$6/$mmm$, comprises $TM$ slabs containing isolated planar hexagonal [B$_6$] rings and iron centered $TM$ columns in a Kagome type of arrangement. Chemical bonding analysis in Nb$_7$Fe$_3$B$_8$ by means of the electron localizability approach reveals two-center interactions forming the Kagome net of Fe and embedded B, while weaker multicenter bonding present between this net and Nb atoms. Magnetic susceptibility measurements reveal antiferromagnetic order below $T_N$ = 240 K for Nb$_7$Fe$_3$B$_8$ and $T_N$ =265 K for Ta$_7$Fe$_3$B$_8$. Small remnant magnetization below 0.01 $μ_B$/f.u. is observed in the antiferromagnetic state. The bulk nature of the magnetic transitions was confirmed by the hyperfine splitting of the Mößbauer spectra, the sizable anomalies in the specific heat capacity, and the kinks in the resistivity curves. The high-field paramagnetic susceptibilities fitted by the Curie-Weiss law show effective paramagnetic moments $μ_{eff}$ about 3.1 $μ_B$/Fe in both compounds. The temperature dependence of the electrical resistivity also reveals metallic character of both compounds. Density functional calculations corroborate the metallic behaviour of both compounds and demonstrate the formation of a sizable local magnetic moment on the Fe-sites. They indicate the presence of both antiferro- and ferromagnetic interactions.

cond-mat.mtrl-sci↗

arXiv2016

Large anomalous Hall effect driven by non-vanishing Berry curvature in non-collinear antiferromagnetic Mn3Ge

It is well established that the anomalous Hall effect that a ferromagnet displays scales with its magnetization. Therefore, an antiferromagnet that has no net magnetization should exhibit no anomalous Hall effect. Here we show that the non-collinear triangular antiferromagnet Mn3Ge exhibits a large anomalous Hall effect comparable to that of ferromagnetic metals; the magnitude of the anomalous conductivity is 500 per ohm per cm at 2 K and 50 per ohm per cm at room temperature. The angular dependence of the anomalous Hall effect measurements confirm that the small residual in-plane magnetic moment has no role in the observed effect. Our theoretical calculations demonstrate that the large anomalous Hall effect in Mn3Ge originates from a non-vanishing Berry curvature that arises from the chiral spin structure, and which also results in a large spin Hall effect, comparable to that of platinum. The present results pave the way to realize room temperature antiferromagnetic spintronics and spin Hall effect based data storage devices.

cond-mat.str-el↗

arXiv2016

Superconductivity in Weyl Semimetal Candidate MoTe2

In recent years, layered transition-metal dichalcogenides (TMDs) have attracted considerable attention because of their rich physics; for example, these materials exhibit superconductivity, charge density waves, and the valley Hall effect. As a result, TMDs have promising potential applications in electronics, catalysis, and spintronics. Despite the fact that the majority of related research focuses on semiconducting TMDs (e.g., MoS2), the characteristics of WTe2 are provoking strong interest in semimetallic TMDs with extremely large magnetoresistance, pressure-driven superconductivity, and the predicted Weyl semimetal (WSM) state. In this work, we investigate the sister compound of WTe2, MoTe2, which is also predicted to be a WSM and a quantum spin Hall insulator in bulk and monolayer form, respectively. We find that MoTe2 exhibits superconductivity with a resistive transition temperature Tc of 0.1 K. The application of a small pressure (such as 0.4 GPa) is shown to dramatically enhance the Tc, with a maximum value of 8.2 K being obtained at 11.7 GPa (a more than 80-fold increase in Tc). This yields a dome-shaped superconducting phase diagram. Further explorations into the nature of the superconductivity in this system may provide insights into the interplay between strong correlations and topological physics.

cond-mat.mtrl-sci↗

arXiv2016

Pressure-driven Superconductivity in Transition-metal Pentatelluride HfTe5

Layered transition-metal tellurides have attracted considerable attention because of their rich physics; for example, tungsten ditelluride WTe2 exhibits extremely large magnetoresistance; the tritelluride ZrTe3 shows a charge density wave transition at low temperature; and the pentatelluride ZrTe5 displays an enigmatic resistivity anomaly and large thermoelectric power. Recently some transition-metal tellurides are predicted to be quantum spin Hall insulators (e.g. ZrTe5 and HfTe5) or Weyl semimetals (e.g. WTe2 and MoTe2) and were subjected to intensive investigations. Here, we report on the discovery of superconductivity in hafnium pentatelluride HfTe5 under high pressure. We observe two structural phase transitions and metallization with superconductivity developing at around 5 GPa. A maximal critical temperature of 4.8 K is attained at a pressure of 20 GPa, and superconductivity persists up to the maximum pressure in our study (42 GPa). Theoretical calculations indicate that the superconductivity develops mainly in the Te atom layers at medium pressure and in the Te atom chains at high pressure.

cond-mat.supr-con↗

arXiv2015

Synthesis and Crystal Growth of Tetragonal Fe1.00Se

Single crystals of tetragonal Fe1.00Se were grown from polycrystalline material by chemical vapor transport reaction at temperatures below 723 K using AlCl3 as transport additive. The plate-shaped single crystals have edge lengths up to 4 mm. The single crystals display complete diamagnetic shielding factor 4piX = -1 below the superconducting transition.

cond-mat.supr-con↗

arXiv2015

Extremely large magnetoresistance and ultrahigh mobility in the topological Weyl semimetal NbP

Recent experiments have revealed spectacular transport properties of conceptually simple semimetals. For example, normal semimetals (e.g. WTe$_2$) have started a new trend to realize a large magnetoresistance, which is the change of electrical resistance by an external magnetic field. Weyl semimetal (WSM) is a topological semimetal with massless relativistic electrons as the three-dimensional analogue of graphene and promises exotic transport properties and surface states, which are different from those of the famous topological insulators (TIs). In this letter, we choose to utilize NbP in magneto-transport experiments because its band structure is on assembly of a WSM and a normal semimetal. Such a combination in NbP indeed leads to the observation of remarkable transport properties, an extremely large magnetoresistance of 850,000 % at 1.85 K (250 % at room temperature) in a magnetic field of 9 T without any signs of saturation, and ultrahigh carrier mobility of 5$\times$10$^6$ cm$^2$ V$^{-1}$ s$^{-1}$ accompanied by strong Shubnikov-de Hass (SdH) oscillations. NbP presents a unique example to consequent design the functionality of materials by combining the topological and conventional phases.

cond-mat.mtrl-sci↗

arXiv2014

Phonon-drag effect in FeGa3

The thermoelectric properties of single- and polycrystalline FeGa3 are systematically investigated over a wide temperature range. At low temperatures, below 20 K, previously not known pronounced peaks in the thermal conductivity (400-800 W K^-1m-1) with corresponding maxima in the thermopower (in the order of -16000 microV/K) were found in single crystalline samples. Measurements in single crystals along [100] and [001] directions indicate only a slight anisotropy in both the electrical and thermal transport. From susceptibility and heat capacity measurements, a structural or magnetic phase transition was excluded. Using density functional theory-based calculations, we have revisited the electronic structure of FeGa3 and compared the magnetic (including correlations) and non-magnetic electronic density of states. Thermopower at fixed carrier concentrations are calculated using semi-classical Boltzmann transport theory, and the calculated results match fairly with our experimental data and exclude the possibility of strong electronic correlations as an explanation for the low temperature enhancement. Eventually, after a careful review, we assign the peaks in the thermopower as a manifestation of the phonon-drag effect, which is supported by thermopower measurements in a magnetic field.

cond-mat.mtrl-sci↗

arXiv2014

Lattice-site-specific spin-dynamics in double perovskite Sr2CoOsO6

We have studied the magnetic properties and spin-dynamics of the structurally-ordered double perovskite Sr$_2$CoOsO$_6$. Our neutron diffraction, muon spin relaxation and ac-susceptibility measurements reveal two antiferromagnetic (AFM) phases on cooling from room temperature down to 2 K. In the first AFM phase, with transition temperature $T_{\mathrm{N}}=108$ K, cobalt (3$d^7$, $S=3/2$) and osmium (5$d^2$, $S=1$) moments fluctuate dynamically, while their \textit{average} effective moments undergo long-range order. In the second AFM phase with $T_{\mathrm{N}}=67$ K, cobalt moments first become frozen and induce a noncollinear spin-canted AFM state, while dynamically fluctuating osmium moments are later frozen into a randomly canted state at $T\approx 5$ K. Our \textit{ab initio} calculations indicate that the effective exchange coupling between cobalt and osmium sites is rather weak, so that cobalt and osmium sublattices exhibit different ground states and spin-dynamics, making Sr$_2$CoOsO$_6$ distinct from previously reported double-perovskite compounds.

cond-mat.mtrl-sci↗

arXiv2013

Exchange bias up to room temperature in the antiferromagnetic bulk hexagonal Mn3Ge

This work reports an exchange bias (EB) effect up to room temperature in the binary intermetallic bulk compound Mn3.04Ge0.96. The sample annealed at 700 K crystallizes in a tetragonal structure with ferromagnetic ordering, whereas, the sample annealed at 1073 K crystallizes in a hexagonal structure with antiferromagnetic ordering. The hexagonal Mn3.04Ge0.96 sample exhibits an EB of around 70 mT at 2 K that continues with a non-zero value up to room temperature. The exchange anisotropy is proposed to be originating from the exchange interaction between the triangular antiferromagnetic host and the embedded ferrimagnetic like clusters. The ferrimagnetic clusters develop when excess Mn atoms occupy empty Ge sites in the original triangular antiferromagnet structure of Mn3Ge.

cond-mat.mtrl-sci↗

arXiv2012

Frustrated pentagonal Cairo lattice in the non-collinear antiferromagnet Bi4Fe5O13F

The crystal and magnetic structures and underlying magnetic interactions of Bi4Fe5O13F, a model system for studying the physics of the Cairo pentagonal spin lattice, are investigated by transmission electron microscopy, low-temperature synchrotron x-ray and neutron powder diffraction, thermodynamic measurements, and density functional band-structure calculations. The crystal structure of Bi4Fe5O13F contains infinite rutile-like chains of edge-sharing FeO6 octahedra interconnected by the Fe2O7 groups of two corner-sharing FeO4 tetrahedra. The cavities between the chains are filled with the fluorine-centered Bi4F tetrahedra. The Fe3+ cations form pentagonal units that give rise to an unusual topology of frustrated exchange couplings and underlie a sequence of the magnetic transitions at T1= 62 K, T2 = 71 K, and TN = 178 K. Below T1, Bi4Fe5O13F forms a fully ordered non-collinear antiferromagnetic structure, whereas the magnetic state between T1 and TN may be partially disordered according to the sizable increase in the magnetic entropy at T1 and T2. Therefore, Bi4Fe5O13F shows the evidence of intricate magnetic transitions that were never anticipated for the pentagonal Cairo spin lattice. Additionally, it manifests a sillimanite (Al2SiO5)-based homologous series of compounds that feature the pentagonal magnetic lattice spaced by a variable number of octahedral units along the rutile-type chains.

cond-mat.mtrl-sci↗

arXiv2012

Hidden magnetic order in CuNCN

We report a comprehensive experimental and theoretical study of the quasi-one-dimensional quantum magnet CuNCN. Based on magnetization measurements above room temperature as well as muon spin rotation and electron spin resonance measurements, we unequivocally establish the localized Cu+2-based magnetism and the magnetic transition around 70 K, both controversially discussed in the previous literature. Thermodynamic data conform to the uniform-spin-chain model with a nearest-neighbor intrachain coupling of about 2300 K, in remarkable agreement with the microscopic magnetic model based on density functional theory band-structure calculations. Using exact diagonalization and the coupled-cluster method, we derive a collinear antiferromagnetic order with a strongly reduced ordered moment of about 0.4 mu_B, indicating strong quantum fluctuations inherent to this quasi-one-dimensional spin system. We re-analyze the available neutron-scattering data, and conclude that they are not sufficient to resolve or disprove the magnetic order in CuNCN. By contrast, spectroscopic techniques indeed show signatures of long-range magnetic order below 70 K, yet with a rather broad distribution of internal field probed by implanted muons. We contemplate the possible structural origin of this effect and emphasize peculiar features of the microstructure studied with synchrotron powder x-ray diffraction.

cond-mat.mtrl-sci↗

arXiv2009

AFe2As2 (A = Ca, Sr, Ba, Eu) and SrFe_(2-x)TM_(x)As2 (TM = Mn, Co, Ni): crystal structure, charge doping, magnetism and superconductivity

The electronic structure and physical properties of the pnictide compound families $RE$OFeAs ($RE$ = La, Ce, Pr, Nd, Sm), $A$Fe$_{2}$As$_{2}$ ($A$ = Ca, Sr, Ba, Eu), LiFeAs and FeSe are quite similar. Here, we focus on the members of the $A$Fe$_{2}$As$_{2}$ family whose sample composition, quality and single crystal growth are better controllable compared to the other systems. Using first principles band structure calculations we focus on understanding the relationship between the crystal structure, charge doping and magnetism in $A$Fe$_{2}$As$_{2}$ systems. We will elaborate on the tetragonal to orthorhombic structural distortion along with the associated magnetic order and anisotropy, influence of doping on the $A$ site as well as on the Fe site, and the changes in the electronic structure as a function of pressure. Experimentally, we investigate the substitution of Fe in SrFe$_{2-x}TM_{x}$As$_{2}$ by other 3$d$ transition metals, $TM$ = Mn, Co, Ni. In contrast to a partial substitution of Fe by Co or Ni (electron doping) a corresponding Mn partial substitution does not lead to the supression of the antiferromagnetic order or the appearance of superconductivity. Most calculated properties agree well with the measured properties, but several of them are sensitive to the As $z$ position. For a microscopic understanding of the electronic structure of this new family of superconductors this structural feature related to the Fe-As interplay is crucial, but its correct ab initio treatment still remains an open question.

cond-mat.supr-con↗