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Magnetic materials featuring triangular arrangements of spins are frequently investigated as platforms hosting magnetic frustration. Hexagonal perovskites with ordered vacancies serve as excellent candidates for two-dimensional triangular magnetism due to the considerable separation of the magnetic planes. In this work, the effects of chemical pressure on the ferromagnetic ground state of Ba 2 La 2 NiW 2 O 12 by substitution of Ba 2+ with Sr 2+ to produce Sr 2 La 2 NiW 2 O 12 are investigated. The two materials are characterized using synchrotron-based XRD, XANES and EXAFS in addition to magnetometry in order to correlate their crystal structures and magnetic properties. Both materials form in space group R3, yet as a result of the enhanced bending of key bond angles due to the effects of chemical pressure, the T C value of the magnetic Ni 2+ sublattice is reduced from ∼6 K in Ba 2 La 2 NiW 2 O 12 to 4 K in Sr 2 La 2 NiW 2 O 12 ., (open access.)

Fermi surfaces are essential for predicting, characterizing and controlling the properties of crystalline metals and semiconductors. Angle-resolved photoemission spectroscopy (ARPES) is the only technique directly probing the Fermi surface by measuring the Fermi momenta (k F ) from energy- and angular distribution of photoelectrons dislodged by monochromatic light. Existing apparatus is able to determine a number of k F -vectors simultaneously, but direct high-resolution 3D Fermi surface mapping remains problematic. As a result, no such datasets exist, strongly limiting our knowledge about the Fermi surfaces. Here we show that using a simpler instrumentation it is possible to perform 3D-mapping within a very short time interval and with very high resolution. We present the first detailed experimental 3D Fermi surface as well as other experimental results featuring advantages of our technique. In combination with various light sources our methodology and instrumentation offer new opportunities for high-resolution ARPES in the physical and life sciences., (© 2022. The Author(s).)

We present a systematic study of the evolution of structural parameters and electronic correlations as a function of 3d band filling in a single crystal series of BaT 2 As 2 (T = Cr-Cu). The structure trends are discussed in relation to the orbital occupation of the corresponding d elements supported by calculations of the charge density and electron localization function. Analysis of our specific heat data yields the mass enhancement ( m */ m b ) throughout the series. By combining the structural data with the mass enhancement values, we find that the decrease in m */ m b for n > 5 follows an increase of the crystal field splitting, determined by the progressive distortion of the As-T-As angle from the ideal tetrahedral environment. This study finds a strong interplay between crystal structure, bonding behavior, band filling, and electronic properties.

We report a systematic elastoresistivity study on LaFe_{1-x}Co_{x}AsO single crystals, which have well separated structural and magnetic transition lines. All crystals show a Curie-Weiss-like nematic susceptibility in the tetragonal phase. The extracted nematic temperature is monotonically suppressed upon cobalt doping, and changes sign around the optimal doping level, indicating a possible nematic quantum critical point beneath the superconducting dome. The amplitude of the nematic susceptibility shows a peculiar double-peak feature. This could be explained by a combined effect of different contributions to the nematic susceptibility, which are amplified at separated doping levels of LaFe_{1-x}Co_{x}AsO.

Downsizing well-established materials to the nanoscale is a key route to novel functionalities, in particular if different functionalities are merged in hybrid nanomaterials. Hybrid carbon-based hierarchical nanostructures are particularly promising for electrochemical energy storage since they combine benefits of nanosize effects, enhanced electrical conductivity and integrity of bulk materials. We show that endohedral multiwalled carbon nanotubes (CNT) encapsulating high-capacity (here: conversion and alloying) electrode materials have a high potential for use in anode materials for lithium-ion batteries (LIB). There are two essential characteristics of filled CNT relevant for application in electrochemical energy storage: (1) rigid hollow cavities of the CNT provide upper limits for nanoparticles in their inner cavities which are both separated from the fillings of other CNT and protected against degradation. In particular, the CNT shells resist strong volume changes of encapsulates in response to electrochemical cycling, which in conventional conversion and alloying materials hinders application in energy storage devices. (2) Carbon mantles ensure electrical contact to the active material as they are unaffected by potential cracks of the encapsulate and form a stable conductive network in the electrode compound. Our studies confirm that encapsulates are electrochemically active and can achieve full theoretical reversible capacity. The results imply that encapsulating nanostructures inside CNT can provide a route to new high-performance nanocomposite anode materials for LIB.

Conventional paramagnetism-a state with finite magnetic moment per ion sans long range magnetic ordering, but with lowering temperature the moment each ion picks up a particular direction, breaking spin rotational symmetry, and results into long-range magnetic ordering. However, in systems with competing multiple degrees of freedom this conventional notion may easily break and results into short range correlation much above the global magnetic transition temperature. La 2 CuIrO 6 with complex interplay of spins (s  =  1/2) on Cu site and pseudo-spin (j   =  1/2) on Ir site owing to strong spin-orbit coupling provides fertile ground to observe such correlated phenomena. By a comprehensive temperature dependent Raman study, we have shown the presence of such a correlated paramagnetic state in La 2 CuIrO 6 much above the long-range magnetic ordering temperature (T N ). Our observation of strong interactions of phonons, associated with Cu/Ir octahedra, with underlying magnetic degrees of freedom mirrored in the observed Fano asymmetry, which remarkably persists as high as ~3.5T N clearly signals the existence of correlated paramagnetism hence broken spin rotational symmetry. Our detailed analysis also reveals anomalous changes in the self-energy parameters of the phonon modes, i.e. mode frequencies and linewidth, below T N , providing a useful gauge for monitoring the strong coupling between phonons and magnetic degrees of freedom.

The ternary iron arsenide compound BaFe 2 As 2 exhibits a structural phase transition from tetragonal to orthorhombic at a temperature of about 140 K. The twin lamellae arising below this transition temperature were studied in undoped single crystalline bulk and epitaxial thin film samples using electron backscatter diffraction in a scanning electron microscope equipped with a helium cryostat. Applying this technique on bulk single crystals a characteristic twin lamella size in the range of 0.1 μm up to a few μm was observed. In contrast, in epitaxially strained thin films the phase transition is not observed at temperatures above 19 K., (Copyright © 2018 Elsevier Ltd. All rights reserved.)

We investigated the structure-property relationship of Co 2 MnSi Heusler thin films upon the irradiation with He + ions. The variation of the crystal structure with increasing ion fluence has been probed using nuclear magnetic resonance (NMR) and transmission electron microscopy (TEM), and associated with the corresponding changes of the magnetic behavior. A decrease of both the structural order and the moment in saturation is observed. Specifically, we detect a direct transition from a highly L2 1 -ordered to a fully A2-disordered structure type and quantify the evolution of the A2 structural contribution as a function of ion fluence. Complementary TEM analysis reveals a spatially-resolved distribution of the L2 1 and A2 phases showing that the A2 disorder starts at the upper part of the films. The structural degradation in turn leads to a decreasing magnetic moment in saturation in response to the increasing fluence.

Ba 2 YIrO 6 , a Mott insulator, with four valence electrons in Ir 5+ d-shell (5d 4 ) is supposed to be non-magnetic, with J eff   =  0, within the atomic physics picture. However, recent suggestions of non-zero magnetism have raised some fundamental questions about its origin. We focus on the phonon dynamics, probed via Raman scattering, as a function of temperature and different incident photon energies, as an external perturbation. Our studies reveal strong renormalization of the phonon self-energy parameters and integrated intensity for first-order modes, especially redshift of the few first-order modes with decreasing temperature and anomalous softening of modes associated with IrO 6 octahedra, as well as high energy Raman bands attributed to the strong anharmonic phonons and coupling with orbital excitations. The distinct renormalization of second-order Raman bands with respect to their first-order counterpart suggest that higher energy Raman bands have significant contribution from orbital excitations. Our observation indicates that strong anharmonic phonons coupled with electronic/orbital degrees of freedom provides a knob for tuning the conventional electronic levels for 5d-orbitals, and this may give rise to non-zero magnetism as postulated in recent theoretical calculations with rich magnetic phases.

Single crystals of Eu 1-x Ca x Fe 2 As 2 ([Formula: see text]) are grown using the high-temperature solution-growth method employing FeAs self-flux. Structural and chemical analysis indicates that these crystals are homogeneous and their lattice parameters exhibit a gradual monotonic decrease with increasing Ca concentration. Detailed magnetic, specific heat and resistivity data were used to construct a phase diagram which depicts the evolution of the structural/spin-density-wave transition at T 0 , and of the antiferromagnetic (AFM) ordering temperature of the Eu moments at T N . We found out that while T N decreases monotonically from 19.1 K (for x  =  0) to below 2 K (for [Formula: see text]), T 0 remains almost constant up to x  =  x c and decreases steadily for higher values of x. Annealing at low temperatures for several days leads to enhancement of T N and T 0 by a few kelvin and sharpened the anomalies associated with these transitions. However, annealing did not change the variation of T N and T 0 across the series. The observation that T 0 is almost constant until the long-range AFM ordering of the Eu 2+ moments gets destroyed, suggests a subtle interrelationship between the Eu 2+ and Fe 2+ magnetic sublattices.

We report electron spin resonance (ESR) spectroscopy results on the double perovskite Ba_{2}YIrO_{6}. On general grounds, this material is expected to be nonmagnetic due to the strong coupling of the spin and orbital momenta of Ir^{5+} (5d^{4}) ions. However, controversial experimental reports on either strong antiferromagnetism with static order at low temperatures or just a weakly paramagnetic behavior have triggered a discussion on the breakdown of the generally accepted scenario of the strongly spin-orbit coupled ground states in the 5d^{4} iridates and the emergence of a novel exotic magnetic state. Our data evidence that the magnetism of the studied material is solely due to a few percent of Ir^{4+} and Ir^{6+} magnetic defects while the regular Ir^{5+} sites remain nonmagnetic. Remarkably, the defect Ir^{6+} species manifest magnetic correlations in the ESR spectra at T≲20  K, suggesting a long-range character of superexchange in the double perovskites as proposed by recent theories.

The ferrimagnetic and high-capacity electrode material Mn 3 O 4 is encapsulated inside multi-walled carbon nanotubes (CNT). We show that the rigid hollow cavities of the CNT enforce size-controlled nanoparticles which are electrochemically active inside the CNT. The ferrimagnetic Mn 3 O 4 filling is switched by electrochemical conversion reaction to antiferromagnetic MnO. The conversion reaction is further exploited for electrochemical energy storage. Our studies confirm that the theoretical reversible capacity of the Mn 3 O 4 filling is fully accessible. Upon reversible cycling, the Mn 3 O 4 @CNT nanocomposite reaches a maximum discharge capacity of 461 mA h g -1 at 100 mA g -1 with a capacity retention of 90% after 50 cycles. We attribute the good cycling stability to the hybrid nature of the nanocomposite: (1) Carbon encasements ensure electrical contact to the active material by forming a stable conductive network which is unaffected by potential cracks of the encapsulate. (2) The CNT shells resist strong volume changes of the encapsulate in response to electrochemical cycling, which in conventional (i.e., non-nanocomposite) Mn 3 O 4 hinders the application in energy storage devices. Our results demonstrate that Mn 3 O 4 nanostructures can be successfully grown inside CNT and the resulting nanocomposite can be reversibly converted and exploited for lithium-ion batteries.

Modern theories of quantum magnetism predict exotic multipolar states in weakly interacting strongly frustrated spin-1/2 Heisenberg chains with ferromagnetic nearest neighbor (NN) inchain exchange in high magnetic fields. Experimentally these states remained elusive so far. Here we report strong indications of a magnetic field-induced nematic liquid arising above a field of ~13 T in the edge-sharing chain cuprate LiSbCuO 4  ≡ LiCuSbO 4 . This interpretation is based on the observation of a field induced spin-gap in the measurements of the 7 Li NMR spin relaxation rate T 1 -1 as well as a contrasting field-dependent power-law behavior of T 1 -1 vs. T and is further supported by static magnetization and ESR data. An underlying theoretical microscopic approach favoring a nematic scenario is based essentially on the NN XYZ exchange anisotropy within a model for frustrated spin-1/2 chains and is investigated by the DMRG technique. The employed exchange parameters are justified qualitatively by electronic structure calculations for LiCuSbO 4 .

In this work we introduce a new method, which employs commercial piezo-cantilevers, for a ferromagnetic resonance (FMR) detection from thin, nm-size, films. Our setup has an option to rotate the sample in the magnetic field and it operates up to the high microwave frequencies of 160GHz. Using our cantilever based FMR spectrometer we have investigated a set of samples, namely quasi-bulk and 84nm film Co2FeAl0.5Si0.5 samples, 16nm Fe50Ni50 film and 150nm Sr2FeMoO6 film. Low frequency and room temperature test of our setup using 84nm Co2FeAl0.5Si0.5 film yielded a result identical to a standard X-Band spectrometer, namely a single line with quite small linewidth. Our measurements at low temperatures and high frequencies revealed a quite strong FMR response detected in all samples. The FMR spectra share common features, such as the emergence of the second line with an opposite angular dependence, and a drastic increase of the linewidths with increasing microwave frequency. We believe that these findings are results of the complicated dynamics of the magnetization at low temperatures and high frequencies, which we were able to probe using our cantilever based FMR setup., (Copyright © 2016 Elsevier Inc. All rights reserved.)

The influence of spin-orbit coupling (SOC) on the physical properties of the 5d(2) system Sr2MgOsO6 is probed via a combination of magnetometry, specific heat measurements, elastic and inelastic neutron scattering, and density functional theory calculations. Although a significant degree of frustration is expected, we find that Sr2MgOsO6 orders in a type I antiferromagnetic structure at the remarkably high temperature of 108 K. The measurements presented allow for the first accurate quantification of the size of the magnetic moment in a 5d(2) system of 0.60(2) μB -a significantly reduced moment from the expected value for such a system. Furthermore, significant anisotropy is identified via a spin excitation gap, and we confirm by first principles calculations that SOC not only provides the magnetocrystalline anisotropy, but also plays a crucial role in determining both the ground state magnetic order and the size of the local moment in this compound. Through comparison to Sr2ScOsO6, it is demonstrated that SOC-induced anisotropy has the ability to relieve frustration in 5d(2) systems relative to their 5d(3) counterparts, providing an explanation of the high TN found in Sr2MgOsO6.

The Hall effect is a powerful tool for investigating carrier type and density. For single-band materials, the Hall coefficient is traditionally expressed simply by , where e is the charge of the carrier, and n is the concentration. However, it is well known that in the critical region near a quantum phase transition, as it was demonstrated for cuprates and heavy fermions, the Hall coefficient exhibits strong temperature and doping dependencies, which can not be described by such a simple expression, and the interpretation of the Hall coefficient for Fe-based superconductors is also problematic. Here, we investigate thin films of Ba(Fe1-xCox)2As2 with compressive and tensile in-plane strain in a wide range of Co doping. Such in-plane strain changes the band structure of the compounds, resulting in various shifts of the whole phase diagram as a function of Co doping. We show that the resultant phase diagrams for different strain states can be mapped onto a single phase diagram with the Hall number. This universal plot is attributed to the critical fluctuations in multiband systems near the antiferromagnetic transition, which may suggest a direct link between magnetic and superconducting properties in the BaFe2As2 system.

A non-trivial temperature evolution of superconductivity including a temperature-induced phase transition between two superconducting phases or even a time-reversal symmetry breaking order parameter is in principle expected in multiband superconductors such as iron-pnictides. Here we present scanning tunnelling spectroscopy data of LiFeAs which reveal two distinct superconducting phases: at = 18 K a partial superconducting gap opens, evidenced by subtle, yet clear features in the tunnelling spectra, i.e. particle-hole symmetric coherence peak and dip-hump structures. At Tc = 16 K, these features substantiate dramatically and become characteristic of full superconductivity. Remarkably, the distance between the dip-hump structures and the coherence peaks remains practically constant in the whole temperature regimeT ≤ . This rules out the connection of the dip-hump structures to an antiferromagnetic spin resonance.

Iron-based superconductors have been found to exhibit an intimate interplay of orbital, spin, and lattice degrees of freedom, dramatically affecting their low-energy electronic properties, including superconductivity. Albeit the precise pairing mechanism remains unidentified, several candidate interactions have been suggested to mediate the superconducting pairing, both in the orbital and in the spin channel. Here, we employ optical spectroscopy (OS), angle-resolved photoemission spectroscopy (ARPES), ab initio band-structure, and Eliashberg calculations to show that nearly optimally doped NaFe0.978Co0.022As exhibits some of the strongest orbitally selective electronic correlations in the family of iron pnictides. Unexpectedly, we find that the mass enhancement of itinerant charge carriers in the strongly correlated band is dramatically reduced near the Γ point and attribute this effect to orbital mixing induced by pronounced spin-orbit coupling. Embracing the true band structure allows us to describe all low-energy electronic properties obtained in our experiments with remarkable consistency and demonstrate that superconductivity in this material is rather weak and mediated by spin fluctuations.

Thin film growth of iron chalcogenides by pulsed laser deposition (PLD) is still a delicate issue in terms of simultaneous control of stoichiometry, texture, substrate/film interface properties, and superconducting properties. The high volatility of the constituents sharply limits optimal deposition temperatures to a narrow window and mainly challenges reproducibility for vacuum based methods. In this work we demonstrate the beneficial introduction of a semiconducting FeSe(1-x)Te(x) seed layer for subsequent homoepitaxial growth of superconducting FeSe(1-x)Te(x) thin film on MgO substrates. MgO is one of the most favorable substrates used in superconducting thin film applications, but the controlled growth of iron chalcogenide thin films on MgO has not yet been optimized and is the least understood. The large mismatch between the lattice constants of MgO and FeSe(1-x)Te(x) of about 11% results in thin films with a mixed texture, that prevents further accurate investigations of a correlation between structural and electrical properties of FeSe(1-x)Te(x). Here we present an effective way to significantly improve epitaxial growth of superconducting FeSe(1-x)Te(x) thin films with reproducible high critical temperatures (≥17 K) at reduced deposition temperatures (200 °C-320 °C) on MgO using PLD. This offers a broad scope of various applications.

The superconducting properties of LaFeAsO(1-x)F(x) under conditions of optimal electron doping are investigated upon the application of external pressure up to ∼23  kbar. Measurements of muon-spin spectroscopy and dc magnetometry evidence a clear mutual independence between the critical temperature T(c) and the low-temperature saturation value for the ratio n(s)/m(*) (superfluid density over effective band mass of Cooper pairs). Remarkably, a dramatic increase of ∼30% is reported for n(s)/m(*) at the maximum pressure value while T(c) is substantially unaffected in the whole accessed experimental window. We argue and demonstrate that the explanation for the observed results must take the effect of nonmagnetic impurities on multiband superconductivity into account. In particular, the unique possibility to modify the ratio between intraband and interband scattering rates by acting on structural parameters while keeping the amount of chemical disorder constant is a striking result of our proposed model.

We report inelastic light scattering studies on Ca(Fe0.97Co0.03)2As2 in a wide spectral range of 120-5200 cm( - 1) from 5 to 300 K, covering the tetragonal to orthorhombic structural transition as well as magnetic transition at Tsm ~ 160 K. The mode frequencies of two first-order Raman modes B1g and Eg, both involving the displacement of Fe atoms, show a sharp increase below Tsm. Concomitantly, the linewidths of all the first-order Raman modes show anomalous broadening below Tsm, attributed to strong spin-phonon coupling. The high frequency modes observed between 400 and 1200 cm( - 1) are attributed to electronic Raman scattering involving the crystal field levels of d-orbitals of Fe(2+). The splitting between xz and yz d-orbital levels is shown to be ~25 meV, which increases as temperature decreases below Tsm. A broad Raman band observed at ~3200 cm( - 1) is assigned to two-magnon excitation of the itinerant Fe 3d antiferromagnet.

The insulating, fully ordered, double perovskite Sr2CoOsO6 undergoes two magnetic phase transitions. The Os(VI) ions order antiferromagnetically with a propagation vector k = (1/2, 1/2, 0) below TN1 = 108 K, while the high-spin Co(II) ions order antiferromagnetically with a propagation vector k = (1/2, 0, 1/2) below TN2 = 70 K. Ordering of the Os(VI) spins is accompanied by a structural distortion from tetragonal I4/m symmetry to monoclinic I2/m symmetry, which reduces the frustration of the face centered cubic lattice of Os(VI) ions. Density functional theory calculations show that the long-range Os-O-Co-O-Os and Co-O-Os-O-Co superexchange interactions are considerably stronger than the shorter Os-O-Co interactions. The poor energetic overlap between the 3d orbitals of Co and the 5d orbitals of Os appears to be responsible for this unusual inversion in the strength of short and long-range superexchange interactions.

Measurements of magneto-resistivity and magnetic susceptibility were performed on single crystals of superconducting Ba(Fe0.9Co0.1)2As2 close to the conditions of optimal doping. The high quality of the investigated samples allows us to reveal dynamic scaling behaviour associated with a vortex-glass phase transition in the limit of a weak degree of quenched disorder. Accordingly, the dissipative component of the ac susceptibility is reproduced well within the framework of Havriliak-Negami relaxation, assuming a critical power-law divergence for the characteristic correlation time τ of the vortex dynamics. Remarkably, the random disorder introduced by the Fe1-xCox chemical substitution is found to act on the vortices as a much weaker quenched disorder than previously reported for cuprate superconductors such as Y1-xPrxBa2Cu3O7-δ.

Superconducting (SC) and non-superconducting (non-SC)Rb(x)Fe(2-y)Se2 crystals were grown using the "self-flux" technique in order to assign the microstructural changes to the onset of superconductivity in complex iron selenides. The crystals were thoroughly characterized by magnetic susceptibility and transport measurements as well as powder X-ray diffraction. Special attention was paid to the comparison of the microstructure of the crystals with and without the superconducting transition by means of transmission electron microscopy (TEM). It is shown that the alternation of ordered and disordered regions on the sample surface and along the c-axis is characteristic for both SC and non-SC materials and therefore does not necessarily represent a trigger of superconductivity. Three types of electron diffraction patterns were found for the superconducting Rb(x)Fe(2-y)Se2 sample, of which one is observed for the first time and originates from alkali metal ordering. Moreover, for the superconducting Rb(x)Fe(2-y)Se2 material a monoclinic distortion with β ∼ 87° was observed, leading to the space group I2/m. This monoclinic distortion seems to be an attribute of the superconducting material only, whereas in the non-superconducting sample the orthogonality of the crystallographic axes is preserved.

In this work we present the results of the bulk magnetization measurements in a superconducting state of single crystals of Ba0.65Na0.35Fe2As2. The isothermal magnetic field (H ∥ c axis) dependent magnetization (M) loops exhibit a second peak (SP) or 'fishtail effect', as well as remarkable flux jumps at low temperatures. The critical current density Jc obtained from the M(H) loops is rather high, of the order of 10(6) A cm(-2). The analysis of the temperature- and field-dependent Jc implies that high Jc is mainly due to collective (weak) pinning of vortices by dense microscopic point defects with some contribution from a strong pinning mechanism. Pronounced magnetic instabilities in terms of flux jumps depend strongly on temperature as well as on the field sweep rate. The field for the first flux jump as calculated from an adiabatic model, however, is much lower than the experimentally observed values, and this enhanced stability is attributed to a flux creep phenomenon. The analysis of field-dependent magnetic relaxation data additionally supports a collective pinning model. The data further suggest that SP in M(H) is likely related to the crossover in creep dynamics from an elastic to a plastic mechanism. We have constructed the vortex phase diagram on the field-temperature plane.

Detailed 57Fe Mössbauer spectroscopy measurements on superconducting NaFeAs powder samples have been performed in the temperature range 13 K ≤ T < 300 K. The 57Fe spectra recorded in the paramagnetic range (T > TN ≈ 46 K) are discussed supposing that most of the Fe2+ ions are located in distorted (FeAs4) tetrahedra of NaFeAs phase, while an additional minor (<10%) component of the spectra corresponds to impurity or intergrowth NaFe2As2 phase with a nominal composition near NaFe2As2. Our results reveal that the structural transition (TS ≈ 55 K) has a weak effect on the electronic structure of iron ions, while at T ≤ TN the spectra show a continuous distribution of hyperfine fields HFe. The shape of these spectra is analyzed in terms of two models: (i) an incommensurate spin density wave modulation of iron magnetic structure, (ii) formation of a microdomain structure or phase separation. It is shown that the hyperfine parameters obtained using these two methods have very similar values over the whole temperature range. Analysis of the temperature dependence HFe(T) with the Bean–Rodbell model leads to ζ = 1.16 ± 0.05, suggesting that the magnetic phase transition is first order in nature. A sharp evolution of the VZZ(T) and η(T) parameters of the full Hamiltonian of hyperfine interactions near T ≈ (TN,TS) is interpreted as a manifestation of the anisotropic electron redistribution between the dxz-, dyz- and dxy-orbitals of the iron ions.

(75)As NMR investigation of a single crystal of superconducting LiFeAs is presented. The Knight shift and the in situ ac susceptibility measurements as a function of temperature and external field are indicative of two superconducting (SC) transition temperatures, each of which is associated with its own upper critical field. Strikingly, the Knight shift maintains its normal state value over a temperature range in the SC state before it drops abruptly, being consistent with spin-singlet pairing. Together with our previous NMR study, the anomalous SC state featuring the constant Knight shift is attributed to the extremely sensitive SC properties of LiFeAs, probably stemming from its proximity to a critical instability.

Half-metallic ferromagnetism stands for the technologically sought-after metallicity with 100% spin polarization. Electrical transport should, in principle, sensitively probe half-metallic ferromagnetism, since electron-magnon scattering processes are expected to be absent, with clear-cut consequences for the resistivity and the magnetoresistance. Here we present electrical transport data for single-crystalline Co(2)FeSi, a candidate half-metallic ferromagnet Heusler compound. The data reveal a textbooklike exponential suppression of the electron-magnon scattering rate with decreasing temperature which provides strong evidence that this material indeed possesses perfect spin polarization at low temperature. However, the energy scale for thermally activated spin-flip scattering is relatively low (activation gap Δ≈100 K) which has decisive influence on the magnetoresistance and the anomalous Hall effect, which exhibit strong qualitative changes when crossing T≈100 K.

Several angle-resolved photoemission spectroscopy (ARPES) studies reveal a poorly nested Fermi surface of LiFeAs, far away from a spin density wave instability, and clear-cut superconducting gap anisotropies. On the other hand a very different, more nested Fermi surface and dissimilar gap anisotropies have been obtained from quasiparticle interference (QPI) data, which were interpreted as arising from intraband scattering within holelike bands. Here we show that this ARPES-QPI paradox is completely resolved by interband scattering between the holelike bands. The resolution follows from an excellent agreement between experimental quasiparticle scattering data and T-matrix QPI calculations (based on experimental band structure data), which allows disentangling interband and intraband scattering processes.

The role of Co substitution in the low-energy electronic structure of Ca(Fe(0.944)Co(0.056))(2)As(2) is investigated by resonant photoemission spectroscopy and density-functional theory. The Co 3d state center of mass is observed at 250 meV higher binding energy than that of Fe, indicating that Co possesses one extra valence electron and that Fe and Co are in the same oxidation state. Yet, significant Co character is detected for the Bloch wave functions at the chemical potential, revealing that the Co 3d electrons are part of the Fermi sea determining the Fermi surface. This establishes the complex role of Co substitution in CaFe(2)As(2) and the inadequacy of a rigid-band shift description.

A crucial step in revealing the nature of unconventional superconductivity is to investigate the symmetry of the superconducting order parameter. Scanning tunneling spectroscopy has proven a powerful technique to probe this symmetry by measuring the quasiparticle interference (QPI) which sensitively depends on the superconducting pairing mechanism. A particularly well-suited material to apply this technique is the stoichiometric superconductor LiFeAs as it features clean, charge neutral cleaved surfaces without surface states and a relatively high T(c)∼18  K. Our data reveal that in LiFeAs the quasiparticle scattering is governed by a van Hove singularity at the center of the Brillouin zone which is in stark contrast to other pnictide superconductors where nesting is crucial for both scattering and s(±) superconductivity. Indeed, within a minimal model and using the most elementary order parameters, calculations of the QPI suggest a dominating role of the holelike bands for the quasiparticle scattering. Our theoretical findings do not support the elementary singlet pairing symmetries s(++), s(±), and d wave. This brings to mind that the superconducting pairing mechanism in LiFeAs is based on an unusual pairing symmetry such as an elementary p wave (which provides optimal agreement between the experimental data and QPI simulations) or a more complex order parameter (e.g., s+id wave symmetry).

Magnetic correlations in superconducting LiFeAs were studied by elastic and by inelastic neutron-scattering experiments. There is no indication for static magnetic ordering, but inelastic correlations appear at the incommensurate wave vector (0.5±δ,0.5-/+δ,0) with δ~0.07 slightly shifted from the commensurate ordering observed in other FeAs-based compounds. The incommensurate magnetic excitations respond to the opening of the superconducting gap by a transfer of spectral weight.

We report superconducting (SC) properties of stoichiometric LiFeAs (T(c)=17 K) studied by small-angle neutron scattering (SANS) and angle-resolved photoemission (ARPES). Although the vortex lattice exhibits no long-range order, well-defined SANS rocking curves indicate better ordering than in chemically doped 122 compounds. The London penetration depth lambda(ab)(0)=210+/-20 nm, determined from the magnetic field dependence of the form factor, is compared to that calculated from the ARPES band structure with no adjustable parameters. The temperature dependence of lambda(ab) is best described by a single isotropic SC gap Delta(0)=3.0+/-0.2 meV, which agrees with the ARPES value of Delta(0)(ARPES)=3.1+/-0.3 meV and corresponds to the ratio 2Delta/k(B)T(c)=4.1+/-0.3, approaching the weak-coupling limit predicted by the BCS theory. This classifies LiFeAs as a weakly coupled single-gap superconductor.

Spintronic is a multidisciplinary field and a new research area. New materials must be found for satisfying the different types of demands. The search for stable half-metallic ferromagnets and ferromagnetic semiconductors with Curie temperatures higher than room temperature is still a challenge for solid state scientists. A general understanding of how structures are related to properties is a necessary prerequisite for material design. Computational simulations are an important tool for a rational design of new materials. The new developments in this new field are reported from the point of view of material scientists. The development of magnetic Heusler compounds specifically designed as material for spintronic applications has made tremendous progress in the very recent past. Heusler compounds can be made as half-metals, showing a high spin polarization of the conduction electrons of up to 100% in magnetic tunnel junctions. High Curie temperatures were found in Co 2 -based Heusler compounds with values up to 1120 K in Co 2 FeSi. The latest results at the time of writing are a tunnelling magnet resistance (TMR) device made from the Co 2 FeAl 0.5 Si 0.5 Heusler compound and working at room temperature with a (TMR) effect higher than 200%. Good interfaces and a well-ordered compound are the precondition to realize the predicted half-metallic properties. The series Co 2 FeAl 1- x Si x is found to exhibit half-metallic ferromagnetism over a broad range, and it is shown that electron doping stabilizes the gap in the minority states for x =0.5. This might be a reason for the exceptional temperature behaviour of Co 2 FeAl 0.5 Si 0.5 TMR devices. Using x-ray diffraction (XRD), it was shown conclusively that Co 2 FeAl crystallizes in the B2 structure whereas Co 2 FeSi crystallizes in the L 2 1 structure. For the compounds Co 2 FeGa or Co 2 FeGe, with Curie temperatures expected higher than 1000 K, the standard XRD technique using laboratory sources cannot be used to easily distinguish between the two structures. For this reason, the EXAFS technique was used to elucidate the structure of these two compounds. Analysis of the data indicated that both compounds crystallize in the L 2 1 structure which makes these two compounds suitable new candidates as materials in magnetic tunnel junctions.