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In this work, glass-ceramics in the xBeO–20Fe2O3–(80-x)TeO2 system with x = 0–25 mol% were synthesized by the traditional melt quenching route and studied by inductively coupled plasma optical emission spectroscopy, X-ray diffraction, confocal microscopy, infrared and Raman spectroscopy. BeO addition was found to support the crystallization process of Fe2O3 during melting, and an increased BeO content was associated with an increased fraction of the crystalline Fe2O3 phase and an increased size of these crystallites. Furthermore, samples doped with BeO exhibit an increasing polymerization of the residual tellurite glass network compared to the undoped sample. The magnetic properties and specific heat of all synthesized materials were measured, and the results show that all studied samples behave as spin-glasses. Also, the Morin transition of hematite was observed at 260 K with intensity depending on the material content in Fe2O3 crystalline phase, the formation of which correlates with the amount of added BeO.

The single-crystal growth, crystal structure, heat capacity, and anisotropic magnetization characterization of Rb3Yb(PO4)2, a Yb-based triangular lattice material, are presented. Single-crystal X-r...

Spinel oxides with the general formula Mn1.7Cu1.3-xFexO4 (x= 0, 0.1, 0.3, 0.5) were prepared and evaluated in this work for their properties at high temperatures. The effect of partially substituting Cu by Fe has not been studied so far for this group of materials and is thus evaluated in this work. Mn1.7Cu1.3-xFexO4 powders were synthesised by a soft chemistry process and studied in terms of crystallographic phase analysis, electrical conductivity, thermal expansion, and sinterability behaviour. The results show that the Fe content has a significant influence on the phase composition and the resulting properties. Characterisation of the dilatometry and conductivity coupled with XRD phase analysis across a wide temperature range allowed the relations between the materials properties and compositions to be observed. The results indicate that Mn1.7Cu0.8Fe0.5O4 is a promising material for use as a protective coating for interconnects in intermediate temperature Solid Oxide Fuel Cells.

We present the crystallographic analysis, superconducting characterization and theoretical modeling of LiBi, that contains the lightest and the heaviest nonradioactive metal. The compound crystallizes in a tetragonal (CuAu-type) crystal structure with Bi square nets separated by Li planes (parameters a = 3.3636(1) Å and c = 4.2459(2) Å, c/a = 1.26). Superconducting state was studied in detail by magnetic susceptibility and heat capacity measurements. The results reveal that LiBi is a moderately coupled type-I superconductor (λe-p = 0.66) with Tc = 2.48 K and a thermodynamic critical field Hc(0) = 157 Oe. Theoretical studies show that bismuth square net is responsible for superconductivity in this compound, but the coupling between the Li planes and Bi planes makes a significant contribution to the superconductivity.

The Ti$_2$Ni and the related $\eta$-carbide structure are known to exhibit various intriguing physical properties. The Ti$_2$Ni structure with the cubic space group $Fd\bar{3}m$ is surprisingly complex, consisting of a unit cell with 96 metal atoms. The related $\eta$-carbide compounds correspond to a filled version of the Ti$_2$Ni structure. Here, we report on the structure and superconductivity in the $\eta$-carbide type suboxides Ti$_4$M$_2$O with M = Co, Rh, Ir. We have successfully synthesized all three compounds in single phase form. We find all three compounds to be type-II bulk superconductors with transition temperatures of $T_{\rm c}$ = 2.7, 2.8, and 5.4 K, and with normalized specific heat jumps of $\Delta C/\gamma T_{\rm c}$ = 1.65, 1.28, and 1.80 for Ti$_4$Co$_2$O, Ti$_4$Rh$_2$O, and Ti$_4$Ir$_2$O, respectively. We find that all three superconductors, exhibit high upper-critical fields. Particularly noteworthy is Ti$_4$Ir$_2$O with an upper critical field of $\mu_0 H_{\rm c2}{\rm (0)}$ =~16.06~T, which exceeds by far the weak-coupling Pauli limit of 9.86~T. The role of the void filling light atom X has so far been uncertain for the overall physical properties of these materials. Herein, we have successfully grown single crystals of Ti$_2$Co. In contrast to the metallic $\eta$-carbide type suboxides Ti$_4$M$_2$O, we find that Ti$_2$Co displays a semimetallic behavior. Hence, the octahedral void-filling oxygen plays a crucial role for the overall physical properties, even though its effect on the crystal structure is small. Our results indicate that the design of new superconductors by incorporation of electron-acceptor atoms may in the Ti$_2$Ni-type structures and other materials with crystallographic void position be a promising future approach. The remarkably high upper critical fields, in this family of compounds, may furthermore spark significant future interest., Comment: Submitted: 3. August 2021, published: 1. November 2021, Supporting Information at publisher's page: https://pubs.acs.org/doi/suppl/10.1021/acs.chemmater.1c02683/suppl_file/cm1c02683_si_001.pdf

We report the synthesis and physical properties of a full Heusler compound, $\mathrm{Mg}{\mathrm{Pd}}_{2}\mathrm{Sb}$, which we found to show superconductivity below ${T}_{c}=2.2\phantom{\rule{0.16em}{0ex}}\mathrm{K}$. $\mathrm{Mg}{\mathrm{Pd}}_{2}\mathrm{Sb}$ was obtained by a two-step solid-state reaction method and its purity and cubic crystal structure [$Fm\text{\ensuremath{-}}3m, a=6.4523(1)\phantom{\rule{0.16em}{0ex}}\AA{}$] were confirmed by powder x-ray diffraction. Normal and superconducting states were studied by electrical resistivity, magnetic susceptibility, and heat capacity measurements. The results show that $\mathrm{Mg}{\mathrm{Pd}}_{2}\mathrm{Sb}$ is a type-II, weak coupling superconductor (${\ensuremath{\lambda}}_{e\text{\ensuremath{-}}p}=0.53$). The observed pressure dependence of ${T}_{c}$ ($\mathrm{\ensuremath{\Delta}}{T}_{c}/p\ensuremath{\approx}--0.23\phantom{\rule{0.16em}{0ex}}\mathrm{K}/\mathrm{GPa}$) is one of the strongest reported for a superconducting Heusler compound. The electronic structure, phonons, and electron-phonon coupling in $\mathrm{Mg}{\mathrm{Pd}}_{2}\mathrm{Sb}$ were theoretically investigated. The obtained results are in agreement with the experiment, confirming the electron-phonon coupling mechanism of superconductivity. We compare the superconducting parameters to those of all reported Heusler-type superconductors.

We present the synthesis and experimental characterization of the electronic properties of the cubic Laves phase superconductor CaRh2. Its crystal structure was confirmed by powder X-ray diffraction and its ambient temperature lattice parameter (a = 7.5326(6) A) is in good agreement with the literature. Magnetization, resistivity and heat-capacity measurements indicate that CaRh2 is a moderate-coupling type-II superconductor (λe-p = 0.89) with a transition temperature Tc = 5.13 K. A sharp discontinuity at Tc in the heat capacity shows that the normalized specific-heat jump is Δ C/γTc = 1.78, which exceeds the value predicted by weak-coupling BCS theory (1.43).

We show that the full-Heusler compound LiGa2Rh is a superconductor with Tc = 2.4 K. The new superconductor was found as a result of an intuition-based extension of a database search for superconductors that looked for the presence of peaks in the electronic band structure near the Fermi energy. The measurement of the entropy loss during the transition from the nonsuperconducting to the superconducting state, a straightforward measurement rarely presented in reports of “new” superconducting materials, played a critical role in identifying and isolating the superconducting compound. This study presents a particularly good example of how specific heat measurements are important for the identification and isolation of a new superconductor, since much more frequently reported resistive and magnetic susceptibility characterizations are often not enough to confirm the identification of a new superconducting material.

Superconductivity was first observed more than a century ago, but the search for new superconducting materials remains a challenge. The Cooper pairs in superconductors are ideal embodiments of quantum entanglement. Thus, novel superconductors can be critical for both learning about electronic systems in condensed matter and for possible application in future quantum technologies. Here two previously unreported materials, NbIr$_2$B$_2$ and TaIr$_2$B$_2$, are presented with superconducting transitions at 7.2 and 5.2 K, respectively. They display a unique noncentrosymmetric crystal structure, and for both compounds the magnetic field that destroys the superconductivity at 0 K exceeds one of the fundamental characteristics of conventional superconductors (the Pauli limit), suggesting that the superconductivity may be unconventional. Supporting this experimentally based deduction, first-principle calculations show a spin split Fermi surface due to the presence of strong spin-orbit coupling. These materials may thus provide an excellent platform for the study of non-BCS superconductivity in intermetallic compounds., 36 pages, 11 figures

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Although Heusler compounds were discovered more than 100 years ago, research in this family of materials continues to reveal remarkable phenomena. Here, the authors describe a solid-state synthesis method for making LiPd${}_{2}M$ ($M$=Si, Ge, Sn) and report superconductivity in LiPd${}_{2}$Ge with ${T}_{c}$=1.96 K. LiPd${}_{2}$Ge appears to be the first example of type-I superconductivity among Heusler compounds. Theoretical calculations reveal the presence of soft modes that enhance the electron-phonon coupling and can be responsible for the observed superconductivity.

[EN] The cubic Ba0.5La0.5CoO3-delta was synthesized using solid state reaction. The structural properties were determined by the simultaneous refinement of Synchrotron Powder X-ray Diffraction and Neutron Powder Diffraction data. Iodometric titration was used to examine the oxygen stoichiometry and average cobalt oxidation state. Low-temperature magnetic studies show soft ferromagnetic character of fully oxidized material, with theta(P) = 198(3) K and mu(eff) = 2.11(2) mu(B). Electric measurements show the thermally activated nature of conductivity at low temperatures, whereas, due to the variable oxidation and spin state of cobalt, a single charge transport mechanism cannot be distinguished. Around room temperature, a wide transition from thermally activated conductivity to semi-metallic behavior is observed. Under the inert atmosphere, the oxygen content lowers and the cation ordering takes place, leading to coexistence of two, ordered and disordered, phases. As a result of this change, thermally activated conductivity is observed also at high temperatures in inert atmosphere., The authors acknowledge the skillful assistance from the staff of the Swiss-Norwegian Beamline (SNBL), at the European Synchrotron Radiation Facility (ESRF), Grenoble, France. The research has been supported by the National Science Centre Poland under m.ERA.net funding scheme (2016/22/Z/ST5/00691). Funding from the Spanish Government (PCIN-2017-125, RTI2018-102161) is kindly acknowledged. Financial and scientific contributions from the Research Council of Norway (Grant no 272797 "GoPHy MiCO") through the M-ERA.NET Joint Call 2016.

The metal–metal bond in metal-rich chalcogenide is known to exhibit various structures and interesting physical properties. Ta2Se can be obtained by both arc-melting and solid-state pellet methods. Ta2Se crystallizes a layered tetragonal structure with space group P4/nmm (No. 129; Pearson symbol tP6). Each unit cell consists of four layers of body-centered close-packing Ta atoms sandwiched between two square nets of Se atoms, forming the Se–Ta–Ta–Ta–Ta–Se networks. Herein, we present magnetic susceptibility, resistivity, and heat capacity measurements on Ta2Se, which together indicate bulk superconductivity with Tc = 3.8(1) K. According to first-principles calculations, the d orbitals in Ta atoms dominate the Fermi level in Ta2Se. The flat bands at the Γ point in the Brillouin zone yield the van Hove singularities in the density of states around the Fermi level, which is intensified by introducing a spin–orbit coupling effect, and thus could be critical for the superconductivity in Ta2Se. The physical properties, especially superconductivity, are completely different from those of Ta-rich alloys or transition-metal dichalcogenide TaSe2., The first metal-rich chalcogenide superconductor Ta2Se with extensive metal−metal interactions was reported with Tc ∼ 3.8 K. The electronic structures indicate the importance of d electrons of Ta atoms in the superconductivity and lead to a high probability of discovering more superconductors in metal-rich chalcogenides.

The synthesis, structure and elementary magnetic characterization of the homometallic warwickite V2OBO3 are reported. The material adopts the orthorhombic warwickite structure type at room temperature, space group Pnma (No. 62) with lattice parameters a = 9.2317(1) A, b = 3.1172(1) A, and c = 9.5313(1) A. Temperature-dependent magnetic susceptibility, electrical resistivity, and specific heat measurements show anomalies near 35 K, between 135 K and 150 K, and near 260 K, with the transition at ~ 35 K likely to a ferrimagnetic state. High resolution synchrotron powder X-ray diffraction data at temperatures between 295 K and 90 K display significant peak splitting upon cooling, indicating that at least one crystallographic symmetry change occurs at low temperatures.

Polycrystalline Pr3Ir was synthesized by arc melting. Its cementite-type crystal structure (Pnma) was confirmed by powder X-ray diffraction and estimated lattice parameters are in agreement with literature. Physical properties were measured by means of the ac and dc magnetic susceptibility, electrical resistivity and heat capacity. Our results indicate spin-glass behavior in Pr3Ir with a freezing temperature Tf = 6.58 K and activation energy Ea = 2.17 kBTf. Above Tf, the dc magnetic susceptibility of Pr3Ir follows a modified Curie-Weiss dependence with a paramagnetic Curie temperature θP = 3.4 K and an effective magnetic moment μeff = 3.72 (1) μB/Pr that is somewhat larger than expected for Pr+3 (μeff = 3.5 μB/Pr). Resistivity measurement shows that Pr3Ir is a poor metal with a residual resistivity ratio about 1.6. The spin-glass scenario in Pr3Ir likely originates from the dynamic fluctuations of the magnetic interactions, as it was proposed for stoichiometric, well ordered PrAu2Si2 Pr-based ternary compound.

A polycrystalline sample of superconducting $\mathrm{ThI}{\mathrm{r}}_{3}$ was obtained by arc-melting Th and Ir metals. Powder x-ray diffraction revealed that the compound crystalizes in a rhombohedral crystal structure (R-3m, s.g. #166) with the lattice parameters: $a=5.3394(1)\phantom{\rule{0.16em}{0ex}}\AA{}$ and $c=26.4228(8)\phantom{\rule{0.16em}{0ex}}\AA{}$. Normal and superconducting states were studied by magnetic susceptibility, electrical resistivity, and heat capacity measurements. The results showed that $\mathrm{ThI}{\mathrm{r}}_{3}$ is a type-II superconductor (Ginzburg-Landau parameter $\ensuremath{\kappa}=38)$ with the critical temperature ${T}_{\mathrm{c}}=4.41\phantom{\rule{0.16em}{0ex}}\mathrm{K}$. The heat capacity data yielded the Sommerfeld coefficient $\ensuremath{\gamma}=17.6\phantom{\rule{0.16em}{0ex}}\mathrm{mJ}/(\mathrm{mo}\mathrm{l}\phantom{\rule{0.16em}{0ex}}{\mathrm{K}}^{2})$ and the Debye temperature ${\mathrm{\ensuremath{\Theta}}}_{\mathrm{D}}=169\phantom{\rule{0.16em}{0ex}}\mathrm{K}$. The ratio $\mathrm{\ensuremath{\Delta}}C/(\ensuremath{\gamma}{T}_{\mathrm{c}})=1.6$, where $\mathrm{\ensuremath{\Delta}}C$ stands for the specific heat jump at ${T}_{\mathrm{c}}$, and the electron--phonon coupling constant ${\ensuremath{\lambda}}_{e\ensuremath{-}p}=0.74$ suggest that $\mathrm{ThI}{\mathrm{r}}_{3}$ is a moderate-strength superconductor. The experimental studies were supplemented by band structure calculations, which indicated that the superconductivity in $\mathrm{ThI}{\mathrm{r}}_{3}$ is governed mainly by $5d$ states of iridium. The significantly smaller band-structure value of Sommerfeld coefficient as well as the experimentally observed quadratic temperature dependence of resistivity and enhanced magnetic susceptibility suggest the presence of electronic interactions in the system, which compete with superconductivity.

Effects of pressure on the electronic structure, electron-phonon interaction, and superconductivity of the high entropy alloy ${(\mathrm{TaNb})}_{0.67}{(\mathrm{HfZrTi})}_{0.33}$ are studied in the pressure range 0--100 GPa. The electronic structure is calculated using the Korringa-Kohn-Rostoker method with the coherent potential approximation. Effects of pressure on the lattice dynamics are simulated using the Debye-Gr\"uneisen model and the Gr\"uneisen parameter at ambient conditions. In addition, the Debye temperature and Sommerfeld electronic heat capacity coefficient were experimentally determined. The electron-phonon coupling parameter $\ensuremath{\lambda}$ is calculated using the McMillan-Hopfield parameters and computed within the rigid muffin-tin approximation. We find that the system undergoes the Lifshitz transition, as one of the bands crosses the Fermi level at elevated pressures. The electron-phonon coupling parameter $\ensuremath{\lambda}$ decreases above 10 GPa. The calculated superconducting ${T}_{c}$ increases up to 40--50 GPa and, later, is stabilized at the larger value than for the ambient conditions, in agreement with the experimental findings. Our results show that the experimentally observed evolution of ${T}_{c}$ with pressure in ${(\mathrm{TaNb})}_{0.67}{(\mathrm{HfZrTi})}_{0.33}$ can be well explained by the classical electron-phonon mechanism.

Single crystals of the new Ga-rich phases ReGa~5(Sn), ReGa~5(Pb) and ReGa~5(Bi) were successfully obtained from the flux method. The new tetragonal phases crystallize in the space group P4/mnc (No. 128) with vertex-sharing capped Re2@Ga14 oblong chains. Vacancies were discovered on the Ga4 and Ga5 sites, which can be understood as the direct inclusion of elemental Sn, Pb and Bi into the structure. Heat capacity measurements were performed on all three compounds resulting in a small anomaly which resembles the superconductivity transition temperature from the impurity ReGa5 phase. The three compounds were not superconducting above 1.85 K. Subsequently, electronic structure calculations revealed a high density of states around the Fermi level, as well as non-bonding interactions that likely indicate the stability of these new phases.

The magnetic, transport, and thermodynamic properties of $\mathrm{Nd}{\mathrm{Ir}}_{3}$ are reported. Its $\mathrm{PuN}{\mathrm{i}}_{3}$-type crystal structure (space group $R\ensuremath{-}3m$), with lattice parameters $a=5.3262(1)\phantom{\rule{0.16em}{0ex}}\AA{}$ and $c=26.2218(3)\phantom{\rule{0.16em}{0ex}}\AA{}$, was confirmed by powder x-ray diffraction. Our measurements indicate that $\mathrm{Nd}{\mathrm{Ir}}_{3}$ exhibits a previously unreported paramagnetic to ferromagnetic phase transition below ${T}_{C}=10.6\phantom{\rule{0.16em}{0ex}}\mathrm{K}$ (determined by using the Arrott plot). The magnetic susceptibility obeys the Curie-Weiss law with an effective magnetic moment of ${\ensuremath{\mu}}_{\mathrm{eff}}=3.63(2) {\ensuremath{\mu}}_{B}/\mathrm{Nd}$ and a paramagnetic Curie temperature ${\ensuremath{\theta}}_{P}=5.4(6)\phantom{\rule{0.16em}{0ex}}\mathrm{K}$. The heat-capacity anomaly at ${T}_{C}$ confirms a bulk nature of the transition, though $\mathrm{\ensuremath{\Delta}}{C}_{p}=11.7\phantom{\rule{0.16em}{0ex}}\mathrm{J}\phantom{\rule{0.16em}{0ex}}\mathrm{mo}{\mathrm{l}}^{\ensuremath{-}1}\phantom{\rule{0.16em}{0ex}}{\mathrm{K}}^{\ensuremath{-}1}$ is lower than expected for $J=9/2$ and instead close to the $J=1/2$ system. This suggests that Nd ions are subject to the crystalline electrical field that removes spin degeneracy and leaves the Nd ions in a doublet ground state. Resistivity and heat-capacity measurements reveal an anomaly at around 70 K. The origin of this anomaly is unknown, but the lack of thermal hysteresis suggests that it is a second-order phase transition and may be related to electronic instabilities. The calculated electronic structure is reported.

Two superconductors with a new chiral noncentrosymmetric crystal structure and Hc2 values above the Pauli limit., It is a fundamental truth in solid compounds that the physical properties follow the symmetry of the crystal structure. Nowhere is the effect of symmetry more pronounced than in the electronic and magnetic properties of materials—even the projection of the bulk crystal symmetry onto different crystal faces is known to have a substantial impact on the surface electronic states. The effect of bulk crystal symmetry on the properties of superconductors is widely appreciated, although its study presents substantial challenges. The effect of a lack of a center of symmetry in a crystal structure, for example, has long been understood to necessitate that the wave function of the collective electron state that gives rise to superconductivity has to be more complex than usual. However, few nonhypothetical materials, if any, have actually been proven to display exotic superconducting properties as a result. We introduce two new superconductors that in addition to having noncentrosymmetric crystal structures also have chiral crystal structures. Because the wave function of electrons in solids is particularly sensitive to the host material’s symmetry, crystal structure chirality is expected to have a substantial effect on their superconducting wave functions. Our two experimentally obtained chiral noncentrosymmetric superconducting materials have transition temperatures to superconductivity that are easily experimentally accessible, and our basic property characterization suggests that their superconducting properties may be unusual. We propose that their study may allow for a more in-depth understanding of how chirality influences the properties of superconductors and devices that incorporate them.

We report the specific heat, magnetic, magnetotransport and galvanomagnetic properties of polycrystalline GdNiC$_2$. In the intermediate temperature region above $T_N$ = 20 K, we observe large negative magnetoresistance due to Zeeman splitting of the electronic bands and partial destruction of a charge density wave ground state. Our magnetoresistance and Hall measurements show that at low temperatures a magnetic field induced transformation from antiferromagnetic order to a metamagnetic phase results in the partial suppression of the CDW., Comment: Accepted to PRB

We present the crystallographic analysis, superconducting and spectroscopic characterization, and theoretical modeling of CeIr3. Lattice parameters a = 5.2945(1) A and c = 26.219(1) A are found for the R-3m symmetry crystal structure, which are close to the literature values. CeIr3 is a moderate type-II superconductor (κ GL = 17, λ e–p = 0.65) below 2.5 K. Ce ions exhibit a strongly intermediate valence character as evidenced by x-ray photoelectron spectroscopy. The normal state magnetic susceptibility is weakly temperature dependent and follows the inter-configuration fluctuation model with a singlet Ce−4 f 0 ground state. Theoretical calculations support a non-magnetic ground state of the system and reveal that Ir−5d states are dominant at the Fermi level.

We describe three previously unreported superconductors, BaPb3, Ba0.89Sr0.11Pb3 and Ba0.5Sr0.5Pb3. These three materials, together with SrPb3, form a distinctive isoelectronic family of intermetallic superconductors based on the stacking of Pb planes, with crystal structures that display a hexagonal to cubic perovskite-like progression, as rarely seen in metals. The superconducting transition temperatures (Tc) are similar for all - 2.2 K for BaPb3, 2.7 K for Ba0.89Sr0.11Pb3 and 2.6 K for Ba0.5Sr0.5Pb3, and the previously reported Tc of SrPb3, ~ 2 K, is confirmed. The materials are moderate coupling superconductors, and calculations show that the electronic densities of states at the Fermi energy are primarily contributed by Pb. The observations suggest that the Pb-stacking variation has only a minor effect on the superconductivity., Comment: 22 pages, 8 figures