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Hydride ions (H

The electronic transport properties of a highly hydrogen-substituted 1111-type SmFeAsO epitaxial film with high critical-temperature (Tc = 45 K) were investigated under high magnetic fields. By using a single-turn magnet generating up to 130 T, we clarified that the upper critical field ({\mu}0Hc2) of SmFeAsO0.65H0.35 is 120 T at the nearly low-temperature limit of 2.2 K for {\mu}0H || ab. The angular dependence of {\mu}0Hc2 revealed that the anisotropic parameter ({\gamma}) around Tc is ~2, which is comparable with that of a practical candidate 122-type BaFe2As2 with lower Tc and much smaller than that of F-substituted SmFeAsO. The small {\gamma} mainly originates from the high hydrogen incorporation. The extremely high {\mu}0Hc2 and small {\gamma}, together with the high Tc and high critical current density, suggest that SmFeAsO1-xHx has high potential for the superconducting electromagnets and cables.

Copper iodide (CuI) is a promising p-type transparent semiconductor with excellent carrier mobility. However, the high hole concentration in conventionally fabricated CuI including the single crystal hinders its applicability to the channel layer of thin-film transistors. We found that Zn substitution into Cu

Anion-excess fluorite is a unique structure type of inorganic crystals and is well known as an appropriate crystal structure for fast anion conduction. In particular, the introduction of excess ani...

Resistive switching induced by ion migration is promising for applications such as random-access memory (ReRAM) and neuromorphic transistors. Hydride ions (H

Fast ionic conductors have considerable potential to enable technological development for energy storage and conversion. Hydride (H−) ions are a unique species because of their natural abundance, light mass, and large polarizability. Herein, we investigate characteristic H− conduction, i.e., fast ionic conduction controlled by a pre-exponential factor. Oxygen-doped LaH3 (LaH3−2xOx) has an optimum ionic conductivity of 2.6 × 10−2 S cm−1, which to the best of our knowledge is the highest H− conductivity reported to date at intermediate temperatures. With increasing oxygen content, the relatively high activation energy remains unchanged, whereas the pre-exponential factor decreases dramatically. This extraordinarily large pre-exponential factor is explained by introducing temperature-dependent enthalpy, derived from H− trapped by lanthanum ions bonded to oxygen ions. Consequently, light mass and large polarizability of H−, and the framework comprising densely packed H− in LaH3−2xOx are crucial factors that impose significant temperature dependence on the potential energy and implement characteristic fast H− conduction., Hydride ions are promising for energy storage since they are abundant, lightweight, and highly mobile, but ionic conductivity should be improved. Here the authors achieve fast hydride ion conductivity in a mixed-anion compound by tuning oxygen content.

A current issue facing light-emitting devices is a missing suitable material for green emission. To overcome this, we explore semiconductors possessing (i) a deep conduction band minimum (CBM) and ...

Recently, an "interlayer" has been often adopted in organic-inorganic hybrid perovskite light-emitting diodes (PeLEDs). The term "interlayer" infers that the layer function is not clear, but it improves electroluminescence (EL) performance. In this respect, it is of interest to determine the exact role of the interlayer and how it works in PeLEDs. In this study, the interlayer is determined to play a crucial role in suppressing the chemical reaction between the metal oxide and hybrid perovskite layers. Nevertheless, the use of an interlayer, a wide gap insulator, does not guarantee the best PeLED performance because it hinders charge injection into the emission layer. Here, a method is proposed that does not apply an "interlayer" but enables simultaneous attainment of high EL performance and outstanding device stability. 18-crown 6-ether (18C6) additive (2.5 mg mL

We examine electronic and crystal structures of iron-based superconductors

High critical temperature (Tc) superconductivity is generally considered to result from a fluctuation-mediated Cooper-pairing derived from a parent phase. The question of what type of fluctuation forms in materials thus plays a key role in understanding the mechanism of superconductivity. The iron-based superconductor LaFeAsO1-xHx possesses bipartite magnetic parent phases with centrosymmetric (x ~ 0) and non-centrosymmetric (x ~ 0.5) structures. The latter is an intriguing polar-metal phase induced by temperature and carrier doping. Here, we investigate average and local structures of LaFeAsO1-xHx using X-ray diffraction and extended X-ray absorption fine-structure measurements. We found lattice C4 symmetry breaking far above the structural transition temperature, and the signature of a tiny split in As–Fe bond distances with broken spatial inversion symmetry in a wide temperature/doping range. The former reveals a nematic state, and the latter highlights a fluctuated state of polar structure which can be appropriately called polar nematic state.

Iron-based superconductors have grown to be a new continent of high Tc superconductors comparable to cuprates. The optimal critical temperature (Tc) of 56 K in electron-doped 1111-type iron oxypnictides attracts considerable attention of physicists and chemists. Carrier doping is not only essential to induce superconductivity but also is a critical parameter that governs the electronic, magnetic, and crystallographic properties of ground states in high-Tc superconductors. Hydride ion (H-) which is an anionic state of hydrogen acts as an efficient electron donor in the 1111-type, leading to several important discoveries such as two-dome structure of superconducting phase and bipartite parent phase. This article summarizes the synthesis, physical properties, and electronic structure of the H- bearing 1111-type iron-based superconductors along with the relevant phenomena of other superconductors. We show several common characteristics of iron-based superconductors with high-Tc over 50 K and suggest a way to achieve higher Tc., Comment: 15 pages, 16 figures

New manganese arsenides CsMn4As3, RbMn4As3, and KMn4As3 were synthesized by solid-state reaction. They consist of edge-sharing MnAs4 tetrahedra, which are a building block similar to those of Fe-based superconductors. CsMn4As3 and RbMn4As3 adopt the KCu4S3-type structure (tetragonal P4/ mmm space group, No. 123) with a Mn4As3 double layer, while KMn4As3 has the CaFe4As3-type structure (orthorhombic Pnma space group, No. 62) with a Mn4As3 tunnel framework. The structural change from CsMn4As3 and RbMn4As3 to KMn4As3 as well as the structural trend of the other ternary A-Mn-As (A = alkali metal) and AE-Mn-As (AE = alkaline-earth metal) compounds is understood as a consequence of reduction of the coordination number around the A and AE sites owing to the decrease of the ionic radius from Cs+ to Mg2+. Electrical resistivity measurements confirm that the three new phases are Mott insulators with band gaps of 0.52 (CsMn4As3), 0.43 (RbMn4As3), and 0.31 eV (KMn4As3). Magnetic and heat capacity measurements revealed that CsMn4As3 and RbMn4As3 are antiferromagnets without apparent phase transitions below 400 K, which is similar to the magnetism of LaMnAsO and BaMn2As2, while the existence of the ferromagnetic component was indicated in KMn4As3 with a magnetic transition at 179 K.

Two-dimensional (2D) materials are promising for applications in a wide range of fields because of their unique properties. Hydrogen boride sheets, a new 2D material recently predicted from theory, exhibit intriguing electronic and mechanical properties as well as hydrogen storage capacity. Here, we report the experimental realization of 2D hydrogen boride sheets with an empirical formula of H1B1, produced by exfoliation and complete ion-exchange between protons and magnesium cations in magnesium diboride (MgB2) with an average yield of 42.3% at room temperature. The sheets feature an sp2-bonded boron planar structure without any long-range order. A hexagonal boron network with bridge hydrogens is suggested as the possible local structure, where the absence of long-range order was ascribed to the presence of three different anisotropic domains originating from the 2-fold symmetry of the hydrogen positions against the 6-fold symmetry of the boron networks, based on X-ray diffraction, X-ray atomic pair dist...

We report the single crystal growth and characterization of the highest Tc iron-based superconductor SmFeAsO1-xHx. Some sub-millimeter-sized crystals were grown using the mixture flux of Na3As + 3NaH + As at 3.0 GPa and 1473 K. The chemical composition analyses confirmed 10% substitution of hydrogen for the oxygen site (x = 0.10), however, the structural analyses suggested that the obtained crystal forms a multi-domain structure. By using the FIB technique we fabricated the single domain SmFeAsO0.9H0.10 crystal with the Tc of 42 K, and revealed the metallic conduction in in-plane (rhoab), while semiconducting in the out-of-plane (rhoc). From the in-plane Hall coefficient measurements, we confirmed that the dominant carrier of SmFeAsO0.9H0.10 crystal is an electron, and the hydride ion occupied at the site of the oxygen ion effectively supplies a carrier electron per iron following the equation: O2- = H- + e-., 4 figures, 2 tables

Inelastic neutron scattering was performed for an iron-based superconductor ${\mathrm{LaFeAsO}}_{0.9}{\mathrm{D}}_{0.1}$, where most of D (deuterium) replaces oxygen, while a tiny amount goes into the interstitial sites. By first-principles calculation, we characterize the interstitial sites for D (and for H slightly mixed) with four equivalent potential minima. Below the superconducting transition temperature ${T}_{\mathrm{c}}=26\phantom{\rule{0.16em}{0ex}}\mathrm{K}$, excitations emerge in the range 5--15 meV, while they are absent in the reference system ${\mathrm{LaFeAsO}}_{0.9}{\mathrm{F}}_{0.1}$. The strong excitations at 14.5 and 11.1 meV broaden rapidly around 15 and 20 K, respectively, where each energy becomes comparable to twice the superconducting gap. The strong excitations are ascribed to a quantum rattling, or a band motion of hydrogen, which arises only if the number of potential minima is larger than two.

A prototypical electron-doped iron-based superconductor $LaFeAsO_{1-x}H_x$ undergoes an antiferromagnetic (AF) phase for $x \geq 0.49$. We performed NMR measurements on $LaFeAsO_{0.4}H_{0.6}$ at 3.7 GPa to investigate the magnetic properties in the vicinity of a pressure-induced QCP. The linewidth of $~^1H$-NMR spectra broadens at low temperatures below 30 K, suggesting that the ordered spin moments remain at 3.7 GPa. The coexistence of gapped and gapless spin excitations was confirmed in the ordered state from the relaxation time $T_1$ of $~^{75}As$. The pressure-induced QCP is estimated to be 4.1 GPa from the pressure dependence of the gapped excitation. Edited by: A. Goñi, A. Cantarero, J. S. Reparaz

An iron-based superconductor ${\mathrm{LaFeAsO}}_{1\ensuremath{-}x}{\mathrm{H}}_{x}\phantom{\rule{0.16em}{0ex}}(0\ensuremath{\le}x\ensuremath{\le}0.6)$ undergoes two antiferromagnetic (AF) phases upon H doping. We investigated the second AF phase ($x=0.6$) using NMR techniques under pressure. At pressures up to 2 GPa, the ground state is a spin-density-wave state with a large gap; however, the gap closes at 4.0 GPa, suggesting a pressure-induced quantum critical point. Interestingly, the gapped excitation coexists with gapless magnetic fluctuations at pressures between 2 and 4 GPa. This coexistence is attributable to the lift up of the ${d}_{xy}$ orbital to the Fermi level, a Lifshitz transition under pressure.

A current issue facing light-emitting devices is a missing suitable material for green emission. To overcome this, we explore semiconductors possessing (i) a deep conduction band minimum (CBM) and a shallow valence band maximum (VBM), (ii) good controllability of electronic conductivity and carrier polarity, and (iii) a directly allowed band gap corresponding to green emission. We focus on early transition metal ( eTM)-based perovskites. The eTM cation's high and stable valence state makes its carrier controllability easy, and the eTM's nonbonding d orbital and the anion's p orbital, which constitute the deep CBM and shallow VBM, are favorable to n- and p-type doping, respectively. To obtain a direct band gap, we applied a scheme that folds the bands constituting the VBM at the zone boundary to the zone center where the CBM appears. Orthorhombic SrHfS

We examine electronic and crystal structures of iron-based superconductors LnFeAsO1−x H x (Ln = La, Sm) under pressure by means of x-ray absorption spectroscopy (XAS), x-ray emission spectroscopy (XES), and x-ray diffraction. In LaFeAsO the pre-edge peak on high-resolution XAS at the Fe-K absorption edge gains in intensity on the application of pressure up to 5.7 GPa and it saturates in the higher pressure region. We found integrated-absolute difference values on XES for Ln = La, corresponding to a spin state, decline on the application of pressure, and then it is minimized when the T c approaches the maximum at around 5 GPa. In contrast, such the optimum value was not detected for Ln = Sm. We reveal that the superconductivity is closely related to the lower spin state for Ln = La unlike Sm case. We observed that As height from the Fe basal plane and As–Fe–As angle on the FeAs4 tetrahedron for Ln = La deviate from the optimum values of the regular tetrahedron in superconducting (SC) phase, which has been widely accepted structural guide to SC thus far. In contrast, the structural parameters were held near the optimum values up to ∼15 GPa for Ln = Sm.

The positively charged cage framework of the natural mineral mayenite, which enables various species with negative charge to be stabilized, is one of the key structures to provide the new functionalities exploited in applications. Here we report the structural and magnetic properties of recently found eltyubyuite, Ca12Fe10Si4O32Cl6, which is the first compound bearing a transition metal oxide as a main constituent in the mayenite-type structure. From neutron powder diffraction measurements at T = 20 K and the low temperature Mossbauer measurement, we determined the magnetic structure of eltyubyuite to be a ferrimagnet with oppositely aligned magnetic moments of +3.17(3) and −3.05(8) μB in two tetrahedral Fe sites with different oxygen ligands, all bridging oxygens or mixed bridging and nonbridging oxygens. As far as is known, this result is likely to be a first example showing ferrimagnetism stemming from only tetrahedral Fe3+ ions. The reduced magnetic moment per Fe3+ and the resultant small net moment p...

We elucidate the magnetic phases and superconducting (SC) transition temperatures (T

Magnetic excitations in a heavily electron-doped antiferromagnet, ${\mathrm{LaFeAsO}}_{0.5}{\mathrm{D}}_{0.5}$, have been investigated using powder inelastic neutron scattering. Unlike other parent compounds of the iron-based superconductors, the magnetic excitation gap in ${\mathrm{LaFeAsO}}_{0.5}{\mathrm{D}}_{0.5}$ was not detected down to the lowest measured temperature of 4 K. This result can be understood as a result of quasi-isotropy within the $ab$ plane, which is consistent with the band calculation result that the ${d}_{xy}$ orbital plays the dominant role in the magnetism of ${\mathrm{LaFeAsO}}_{0.5}{\mathrm{H}}_{0.5}$. In addition, the intensities of the magnetic excitations in this phase are much stronger than those in nondoped LaFeAsO. Even in the paramagnetic phase, the magnetic excitation in ${\mathrm{LaFeAsO}}_{0.5}{\mathrm{D}}_{0.5}$ persists. These results corroborate recent studies showing that the electron doping enhances the localized nature in this system.

Halide perovskites, including CsPbX

New manganese arsenides CsMn

We elucidate the magnetic phases and superconducting transition temperatures (Tc) in Sr2VFeAsO3-delta (21113V), an iron-based superconductor with a thick-blocking layer fabricated from a perovskite-related transition metal oxide. At low temperatures (T < 37.1 K), 21113V exhibited a superconducting phase in the range 0.031 =< delta =< 0.145 and an antiferromagnetic (AFM) iron sublattice in the range 0.267 =< delta =< 0.664. Mixed-valent vanadium exhibited a dominant AFM phase in 0.031 =< delta =< 0.088, and a partial ferrimagnetic (Ferri.) phase in the range 0.124 =< delta =< 0.664. The Ferri. phase was the most dominant at a delta value of 0.267, showing an AFM phase of Fe at T < 20 K. Increasing the spontaneous magnetic moments reduced the magnetic shielding volume fraction due to the superconducting phase. This result was attributed to the magnetic phase of vanadium, which dominates the superconductivity of Fe in 21113V. The Tc-delta curve showed two maxima. The smaller and larger of Tc maxima occurred at delta = 0.073 and delta = 0.145, respectively; the latter resides on the phase boundary between AFM and the partial Ferri. phases of vanadium. 21113V is a useful platform for verifing new mechanisms of Tc enhancement in iron-based superconductors., 34 pages, 10 figures, 2 tables, supplement information with 11 pages, 8 figures, 3 tables. accepted for publication, J. Phys.: Condens. Matter, Updated manuscript contains More references and readability. See http://iopscience.iop.org/article/10.1088/1361-648X/aaf7e0

Iron-based superconductors can be categorized as two types of parent compounds by considering the nature of their temperature-induced phase transitions; namely, first order transitions for 122- and 11-type compounds and second-order transitions for 1111-type compounds. This work examines the structural and magnetic transitions (ST and MT) of CaFeAsH by specific heat, X-ray diffraction, neutron diffraction, and electrical resistivity measurements. Heat capacity measurements revealed a second-order phase transition accompanies an apparent single peak at 96 K. However, a clear ST from the tetragonal to orthorhombic phase and a MT from the paramagnetic to antiferromagnetic phase were detected. The structural (Ts) and N\'eel temperatures (TN) were respectively determined to be 95(2) and 96 K by X-ray and neutron diffraction and resistivity measurements. This small temperature difference, Ts - TN, was attributed to strong magnetic coupling in the inter-layer direction owing to CaFeAsH having the shortest lattice constant c among parent 1111-type iron arsenides. Considering that a first-order transition takes place in 11- and 122-type compounds with a short inter-layer distance, we conclude that the nature of the ST and MT in CaFeAsH is intermediate in character, between the second-order transition for 1111-type compounds and the first-order transition for other 11- and 122-type compounds.

In this paper, the effects of cobalt substitution on the transport and electronic properties of the recently discovered iron-based superconductor $\mathrm{KC}{\mathrm{a}}_{2}\mathrm{F}{\mathrm{e}}_{4}\mathrm{A}{\mathrm{s}}_{4}{\mathrm{F}}_{2}$, with ${T}_{\mathrm{c}}=33\phantom{\rule{0.16em}{0ex}}\mathrm{K}$, are reported. This material is an unusual superconductor showing intrinsic hole conduction ($0.25\phantom{\rule{0.16em}{0ex}}\mathrm{holes}/\mathrm{F}{\mathrm{e}}^{2+}$). Upon doping of Co, the ${T}_{\mathrm{c}}$ of $\mathrm{KC}{\mathrm{a}}_{2}{(\mathrm{F}{\mathrm{e}}_{1\ensuremath{-}x}\mathrm{C}{\mathrm{o}}_{x})}_{4}\mathrm{A}{\mathrm{s}}_{4}{\mathrm{F}}_{2}$ gradually decreased, and bulk superconductivity disappeared when $x\ensuremath{\ge}0.25$. Conversion of the primary carrier from $p$ type to $n$ type upon Co-doping was clearly confirmed by Hall measurements, and our results are consistent with the change in the calculated Fermi surface. Nevertheless, neither spin density wave (SDW) nor an orthorhombic phase, which are commonly observed for nondoped iron-based superconductors, was observed in the nondoped or electron-doped samples. The electron count in the $3d$ orbitals and structural parameters were compared with those of other iron-based superconductors to show that the physical properties can be primarily ascribed to the effects of disorder.

Transparent bipolar semiconductors (TBSCs) are in demand for transparent electronics to serve as the basis for next generation optoelectronic devices. However, the poor carrier controllability in wide-bandgap materials makes the realization of a bipolar nature difficult. Only two materials, CuInO2 and SnO, have been reported as TBSCs. To satisfy demand for the coexistence of transparency and bipolarity, we propose a design concept with three strategies; choice of early transition metals (eTM) such as Y3+ and Zr4+ for improving controllability of carrier doping, design of chemical bonds to obtain an appropriate band structure for bipolar doping, and use of a forbidden band-edge transition to retain transparency. This approach is verified through a practical examination of a candidate material, tetragonal ZrOS, which is chosen by following the criteria. ZrOS exhibits an excellent controllability of the electrical conductivity (10–7–10–2 S cm–1), p- or n-type nature with ∼10–2 S cm–1 by Y or F doping, respec...

Two-dimensional (2D) materials are promising for applications in a wide range of fields because of their unique properties. Hydrogen boride sheets, a new 2D material recently predicted from theory, exhibit intriguing electronic and mechanical properties as well as hydrogen storage capacity. Here, we report the experimental realization of 2D hydrogen boride sheets with an empirical formula of H

Using neutron powder diffraction measurements on the bulk highest-Tc superconductor 154SmFeAsO1−xDx, we discovered a new antiferromagnetic (AFM) phase in the electron-overdoped regime, x ≥ 0.56 (AFM2). The magnetic moment on Fe in AFM2 reaches 2.73 μB/Fe, which is the largest in all the nondoped iron-based antiferromagnets reported so far. Our theoretical calculations reveal that the AFM2 phase in SmFeAsO1−xHx originates in the kinetic frustration of the Fe-3dxy orbital, in which the Fe-3dxy nearest-neighbor hopping parameter becomes zero. The unique phase diagram, i.e., the highest-Tc superconducting phase adjacent to the strongly electron-correlated phase in heavily electron-doped regime (not nondoped regime), yields important clues to the unconventional origins of superconductivity.

In iron-based superconductors, high critical temperature (Tc) superconductivity over 50 K has only been accomplished in electron-doped hREFeAsO (hRE = heavy rare earth (RE) element). While hREFeAsO has the highest bulk Tc (58 K), progress in understanding its physical properties has been relatively slow due to difficulties in achieving high concentration electron-doping and carrying out neutron-experiments. Here, we present a systematic neutron powder diffraction (NPD) study of 154SmFeAsO1-xDx, and the discovery of a new long-range antiferromagnetic ordering with x >= 0.56 (AFM2) accompanying a structural transition from tetragonal to orthorhombic. Surprisingly, the Fe magnetic moment in AFM2 reaches a magnitude of 2.73 muB/Fe, which is the largest in all non-doped iron pnictides and chalcogenides. Theoretical calculations suggest that the AFM2 phase originates in kinetic frustration of the Fe-3dxy orbital, in which the nearest neighbor hopping parameter becomes zero. The unique phase diagram, i. e., highest-Tc superconducting phase is adjacent to the strongly correlated phase in electron-overdoped regime, yields important clues to the unconventional origins of superconductivity., 46 pages, 11 figures, 5 tables, including supplemental information