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Three new double corundum derived compounds, Fe3-xInSnxO6, (x = 0. 0.25, 0.5) were synthesized at high pressure and temperature (6 GPa, 1400-1450 C) All the compounds order antiferromagnetically well above room temperature, TN = 608 K, 532K, and 432 K for x = 0, 0.25, 0.5, respectively. The x = 0 phase crystalizes as centrosymmetric R3c, but increasing the substitution of closed-shell d10 Sn4+ induces x = 0.25 and 0.5 to crystallize as noncentrosymmetric R3c. Microprobe measurements indicate that for x = 0.25, 0.5, the substitution of Sn4+ is not compensated for by vacancies, which implies the presence of Fe2+, as corroborated by X-ray absorption near edge spectroscopy and single crystal X-ray structure refinements. Neutron powder diffraction experiments on x = 0.5 indicate that, these compounds are canted A-type antiferromagnets which, like Fe2O3 and InFeO3, consist of ferromagnetic layers that stack antiferromagnetically with a single magnetic transition. Weak ferromagnetic interactions persist to very high temperatures. Temperature dependent second harmonic generation measurements on x = 0.25 and 0.5 show SHG response with ferroelectric-like hysteretic maxima that correspond with the respective magnetic transitions, which suggest coupling of the magnetic and polarization order. These new compounds provide more information on fine-tuning the electronic, magnetic and structural properties of corundum derived mutlferroics in the search for tunable high temperature magnetoelectric materials.

SnS-Ti/TiO2photoanode for anticancer drug degradation.

Geometrically frustrated lattices combined with magnetism usually host quantum fluctuations that suppress magnetic orders and generate highly entangled ground states. Three-dimensionally (3D) frustrated magnets generally exist in the diamond and pyrochlore lattices, while two-dimensionally (2D) frustrated geometries contain Kagomé, triangular, and honeycomb lattices. In this work, we reported using chemical pressure to tune the magnetism of the pyrochlore lattice in LiYbSe

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.

Superconducting properties of two bismuthide intermetallic compounds, RbBi2 and CsBi2, were studied by means of experimental measurements and ab initio calculations. We show that in both compounds the superconductivity emerges from the pyrochlore Bi lattice and its formation is heavily influenced by relativistic effects. Based on our analysis of the effect of spin-orbit coupling on the electron-phonon coupling we suggest a possible criterion for finding new superconducting materials by looking for structures featuring relativistically-stabilized hypervalent networks of heavy p-block elements.

Based on previous reports on the optical microscopy contrast of mechanically exfoliated few layer CrCl 3 transferred on 285 nm and 270 nm SiO 2 on Si(100), we focus on the experimental determination of an effective mean complex refractive index via a fitting analysis based on the Fresnel equations formalism. Accordingly, the layer and wavelength-dependent absorbance and reflectance are calculated. Layer and wavelength-dependent optical contrast curves are then evaluated demonstrating that the contrast is significantly high only around well-defined wavelength bands. This is validated a posteriori, by experimental UV-Vis absorbance data. The present study aims to show the way towards the most reliable determination of thickness of the 2D material flakes during exfoliation.

Novel highly-oriented (111)-textured boron-doped diamond electrodes (BDDD) featuring high electrochemical activity and electrode stability toward electrochemical analytics were fabricated by deuterium-rich microwave plasma CVD. The high flux deuterium plasma-induced preferential formation of (111)-faceted diamond as revealed by XRD. The highly-oriented diamond surface exhibited improved boron dopant incorporation and activation, whereas the crystals showed enhanced carrier electron acceptance and donation, which accelerated the electron transfer during electrochemical redox mediation. The standard rate constant and peak-to-peak separation ΔE for the oxidation and reduction of the Fe(CN)63−/4- and Ru(NH3)62+/3+ redox probes reached ΔE values of only 60.6 and 59.8 mV, respectively. The enriched electrochemical performance of the BDDD electrodes is an advantageous feature allowing them to be applied as ultrasensitive electrodes, demonstrated here by paracetamol determination. The differential pulse voltammetry results revealed an enhanced electrochemical oxidation effect for paracetamol at the deuterium-grown (111)-rich diamond electrode. A single linear range from 1 to 125 μM along with a low detection limit of 0.76 μM were achieved.

Bulk CsEuBr$_3$ and CsEuCl$_3$ are experimentally shown to be magnetic semiconductors that order antiferromagnetically at Neel temperatures of 2.0 K and 1.0 K respectively. Given that nanoparticles and thin films of CsEuCl$_3$ have been reported to order ferromagnetically at a similar temperature, our observation of antiferromagnetic ordering in CsEuBr$_3$ and CsEuCl$_3$ expands the possible applications of halide perovskites to now include spintronic devices where both ferromagnetic and antiferromagnetic devices can be fabricated from a single material. The conclusion that CsEuCl$_3$ can be used as a switchable magnetic material is also supported by our density-functional theory calculations., 21 pages, 3 figures, 6 additional figures

We report a successful synthesis of a ternary AlB2-type intermetallic compound. The phase purity was obtained by fine-tuning the Pd : Ge ratio out of the idealized 1 : 3. Attempts to synthesize an Er analogue were not successful. We discuss the instability of the Er analogue based on the atomic size ratio and also suggest that the increased stability of Ho2Pd1+xGe3−x in the Pd-rich range likely stems from a combination of atomic size ratio, electronic, and entropic factors. The new Ho2Pd1.3Ge2.7 compound is found to exhibit cluster glass behavior with a freezing temperature of T ≈ 2.3 K.

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...

Applied cutting-edge electronic structure and phonon simulations provide a reliable knowledge about the stability of perovskite structures and their electronic properties, which are crucial for des...

The present study highlights the effect of metal precursor types (SO42¯, Cl¯, and NO3¯), their concentration, and the influence of ionic strength of reaction environment on the morphology, surface, and magnetic properties of CoFe2O4 particles. The magnetic nanoparticles were obtained by chemical coprecipitation in alkaline medium at increasing metal concentration in the range of 0.0425 mol·dm-3 to 0.17 mol·dm-3 and calcination temperature from 400°C to 800°C. It was found that the chemistry of precursors can be directly correlated with magnetic properties. The CoFe2O4 particles from metal sulphate precursors showed the highest saturation magnetization and the lowest coercivity. The adjustment of ionic strength in the range of 1.25–5 M was achieved by adding an appropriate quantity of metal sulphates into aqueous solutions at a constant pH or by adding an appropriate quantity of NaClO5 under similar conditions. The average hydrodynamic size of CoFe2O4 increased from 46 nm to 54 nm with increasing metal concentration and ionic strength. An explanation of magnetic properties, caused by ionic strength and metal concentration, is given based mainly on the reduction in repulsive forces at the particle interface and compensation of the double electric layer in the presence of anions. The observed coercivity was lower for the particles obtained in solutions with the highest ionic strength, whereas the concentration of metals and calcination temperature affected the saturation magnetization and morphology of the obtained cobalt ferrite particles.

Superconductivity is reported in an endohedral aluminide compound, RuAl6, with Tc = 1.21 K. The normalized heat capacity jump at Tc, ΔC/γTc = 1.58, confirms bulk superconductivity. The Ginzburg–Lan...

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.

Graphitic carbon nitride (g-C3N4) is a promising catalyst for contaminants of emerging concern removal applications, especially as a visible-light-driven material. In this study, g-C3N4 catalysts were effectively synthesized through a simple thermal polymerization method, using melamine, urea, and thiourea as precursors to elucidate the influence of these compounds on the final product’s photocatalytic performance. The degradation of a mixture of three parabens was investigated under different types of radiation: two artificial, ultraviolet-A (UVA) and visible LED, and natural sunlight. The urea-based catalyst (UCN) presented better results under all radiation sources, followed by thiourea, and finally, melamine. Among the artificial light sources, the degradation of parabens under UVA was considerably higher than visible—up to 51% and 21%, respectively—using UCN; however, the broader spectrum of natural sunlight was able to achieve the highest removals, up to 92%, using UCN. Comparing artificial radiation sources, UVA lamps presented 45% lower energy consumption and associated costs. Photocatalytic ozonation was tested using UCN and MCN, with UCN once more possessing superior performance and a synergetic effect between photocatalysis and ozonation, with complete removal under 12 min. The use of g-C3N4 was then successfully tested in initial screening and found to be an efficient alternative in more low-cost and feasible solar photocatalysis water treatment.

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 a method of growing a boron-doped diamond film by plasma-assisted chemical vapour deposition utilizing a pre-treatment of GaN substrate to give a high density of nucleation. CVD diamond was deposited on GaN substrate grown epitaxially via the molecular-beam epitaxy process. To obtain a continuous diamond film with the presence of well-developed grains, the GaN substrates are exposed to hydrogen plasma prior to deposition. The diamond/GaN heterojunction was deposited in methane ratio, chamber pressure, temperature, and microwave power at 1%, 50 Torr, 500 °C, and 1100 W, respectively. Two samples with different doping were prepared 2000 ppm and 7000 [B/C] in the gas phase. SEM and AFM analyses revealed the presence of well-developed grains with an average size of 100 nm. The epitaxial GaN substrate-induced preferential formation of (111)-facetted diamond was revealed by AFM and XRD. After the deposition process, the signal of the GaN substrate is still visible in Raman spectroscopy (showing three main GaN bands located at 565, 640 and 735 cm−1) as well as in typical XRD patterns. Analysis of the current–voltage characteristics as a function of temperature yielded activation energy equal to 93.8 meV.

Experimental and theoretical studies on superconductivity in ${\mathrm{SrIr}}_{2}$ and ${\mathrm{SrRh}}_{2}$ Laves phases are presented. The measured resistivity, heat capacity, and magnetic susceptibility confirm the superconductivity of these compounds with ${T}_{c}=6.07$ and 5.41 K, respectively. Electronic structure calculations show that the Fermi surface is mostly contributed by $5d$ ($4d$) electrons of Ir (Rh), with Sr atoms playing the role of electron donors. The effect of the spin-orbit coupling is analyzed and found to be important in both materials. Lattice dynamics and electron-phonon coupling (EPC) are studied and the strong electron-phonon interaction is found, contributed mostly by the low-frequency Ir and Rh vibrations. The enhancement of EPC, when compared to weakly coupled metallic Ir and Rh, is explained by the strong modifications in the propagation of phonons in the network of Ir (Rh) tetrahedrons, which are the building blocks of the Laves phase, and originate from the metallic fcc structures of elemental iridium and rhodium.

Polycrystalline LiGa2Ir has been prepared by a solid state reaction method. A Rietveld refinement of powder x-ray diffraction data confirms a previously reported Heusler-type crystal structure (space group Fm-3m, No. 225) with lattice parameter a = 6.0322(1) Å. The normal and superconducting state properties were studied by magnetic susceptibility, heat capacity, and electrical resistivity techniques. A bulk superconductivity with Tc = 2.94 K was confirmed by detailed heat capacity studies. The measurements indicate that LiGa2Ir is a weak-coupling type-II superconductor ($${\uplambda }$$ λ e–p = 0.57, $${\Delta }$$ Δ C/$${\upgamma }$$ γ Tc = 1.4). Electronic structure, lattice dynamics, and the electron–phonon interaction are studied from first principles calculations. Ir and two Ga atoms equally contribute to the Fermi surface with a minor contribution from Li. The phonon spectrum contains separated high frequency Li modes, which are seen clearly as an Einstein-like contribution in the specific heat. The calculated electron–phonon coupling constant $${\uplambda }$$ λ e–p = 0.68 confirms the electron–phonon mechanism for the superconductivity. LiGa2Ir and recently reported isoelectronic LiGa2Rh are the only two known representatives of the Heusler superconductors with the valence electron count VEC = 16.

The effect of hexadecyltrimethylammonium bromide (CTAB) addition on the crystal structure, morphology, and magnetic properties of co-precipitated hexagonal barium ferrite was investigated. For a fixed amount of surfactant, different Fe3+ concentrations and Fe3+/Ba2+ ratios were used to optimize the formation of single-phase barium ferrite particles. The results indicated that the obtained ferrite particles exhibited coercivity changes similar to those of superparamagnetic particles with larger than theoretically calculated particle sizes. This results from the softening of the material due to the size reduction of the grains and incorporation of excess barium, localized on the surface of the particles. Therefore, lowering the energy barrier required to reverse the magnetization was observed, while high magnetization saturation was preserved. The precipitation of barium ferrite particles from a surfactant-rich solution allowed control of BaFe12O19 magnetic properties without introducing any modifications inside the crystal structure.

Self-organized TiO 2 nanotubes as immobilized photocatalysts were evaluated in detail for the photocatalytic degradation of parabens mixtures from ultrapure water. This kind of approach can be a very suitable option for emerging contaminants degradation considering the possibility of the catalyst reuse and recovery which will be simpler than when catalytic powders are used. The anodization method was applied for the TiO 2 nanotubes production under different preparation voltages (20, 30 and 40 V). These preparation conditions are important on the morphological characteristics of nanotubes such as length, as well as internal and external diameters. The photocatalytic efficiency was dependent on the materials preparation voltages. The photocatalytic oxidation was evaluated using two different irradiation sources, namely UVA and sunlight. These irradiation sources were evaluated for parabens mixture degradation using different number of catalytic plates. The increase of the number of plates improved the parabens degradation possibly due to the availability of more active sites which can be relevant for the hydroxyl radical's generation. The effect of the reactor design was also evaluated using sunlight irradiation. The configuration, position and solar concentrators can be important for the performance of degradation. The mechanism of degradation was analysed through by-products formation under sunlight irradiation. The main responsible for parabens degradation was hydroxyl radical. Decarboxylation, dealkylation and hydroxylation seem to be the most important reactional steps for the mixture decontamination.

While exploring novel magnetic semiconductors, the new phase Cr0.65Al1.35Se3 was discovered and characterized by both structural and physical properties. Cr0.65Al1.35Se3 was found to crystallize into orthorhombic CrGeTe3-type structure with space group Pnma (no. 62). Vacancies and mixed occupancies were tested, and the results show that one of the 4c sites accommodates a mixture of Cr and Al atoms, while the other 4c site is fully occupied by Al atoms. Unique structural features include a T-shaped channel network created from the edge-sharing Cr/Al@Se6 and Al@Se4 polyhedra and a zipper effect of the puckered Se atoms inside the columnar channels. The round peak observed in the temperature-dependent magnetic susceptibility (χg) plot at ∼8(1) K corresponds to the antiferromagnetic-type transition in Cr0.65Al1.35Se3. However, the positive θCW indicates an additional ferromagnetic interaction, which is highly likely due to the complex magnetic structure arising from the mixed Cr/Al occupancies on the 4c site. Electrical resistivity measurements confirm that Cr0.65Al1.35Se3 is a semimetal with a positive magnetoresistance. Here we present the characterization and determination of the crystal structure and physical properties for this new material.