Solids in Europe

A generic expression is derived for the dynamical response function of metal films, with conductivity tensors as the only input. The semi-classical model is then used to provide an analytical expression for the conductivity tensor, thus establishing a kinetic theory for the response function. A major advantage of the theory is its ability to handle surface roughness effects through the use of the so-called specularity parameter. We applied the theory to study the properties of surface plasma waves. It is found that surface roughness does not affect the dispersion, but rather the decay rate of these waves. Furthermore, it significantly affects the spectral weight carried by the SPW resonances, which diminishes toward zero as the specularity parameter approaches unity. Full article

Complex perovskite La₂(Al_1/2MgTa_1/2)O₆ (LAMT) crystallizes in a monoclinic unit cell with space group P2₁/n at room temperature. Its B-site cations are ordered in a rock-salt-type arrangement. Previously, the full occupancy of Mg on the 2c-Wyckoff position was deduced from powder X-ray diffraction (PXRD). However, conventional X-rays could not properly resolve the mixed occupation on the B-site, since there is little scattering contrast between the neighbouring elements Mg and Al of the periodic table. Hence, complementary neutron diffraction studies were carried out to verify the exact B-site cation ordering in the unit cell. In this specific configuration of the B-cations, with its occupancy ratio and the presence of a heavy element Ta as well as neighbouring elements Mg and Al, only the strategy of a combined Rietveld analysis using both the X-ray and neutron diffraction data simultaneously succeeded in elucidating an accurate B-site cation ordering in this complex perovskite system. A full occupancy of Mg on the 2c-Wyckoff position and each a half occupancy of Al and Ta on the 2d-Wyckoff position could be resolved for the rock-salt-type ordering of the B-site cations in the monoclinic unit cell of LAMT. Full article

Various food supplements for silicon uptake were compared in terms of their structures and chemical compositions. In particular, we analyzed the silanol group content, which can be an indicator of the uptake of the siliceous species in the human body. We analyzed the commercial products Original Silicea Balsam^®, Flügge Siliceous Earth Powder, Pure Colloidal Silicon, and BioSil^® by applying various methods such as FTIR, ²⁹Si NMR, and TGA. The Si-OH group content of the samples containing pure silica was the highest for the Original Silicea Balsam followed by the Pure Colloidal Silicon. The siliceous earth powder revealed the lowest content of such groups and the densest structure. BioSil^® contained a considerable concentration of organic molecules that stabilized orthosilicic acid. The study may help to understand the silicon uptake behavior of different food supplements depending on their chemical structure. Full article

Transition metal dichalcogenides of type VX₂ (X = S, Se, Te) have recently attracted great interest as it has been predicted that they host ferromagnetism at room temperature. Whether ferromagnetism is indeed present is an open experimental question. An in-depth study of the structural and magnetoelectric properties of VTe₂ thin films is presented in this work. The VTe₂ thin films were grown through molecular beam epitaxy, which allows for precise control of thicknesses, ranging from several nanometers down to monolayers. The low-temperature magnetoelectric transport studies reveal no sign of intrinsic ferromagnetism. However, a transition from positive to negative magnetoresistance is present upon decreasing film thickness. Full article

Advances in machine systems and scanning technologies have increased the use of selective laser melted materials in industrial applications, resulting in almost full-density products. Inconsistent mechanical behavior of components under cyclic stress is caused by microstructure and porosity created during powder melting. The extended finite element method, XFEM, was used to imitate crack propagation utilizing an arbitrary fracture route to study fatigue crack growth in additively produced fatigue specimens. The influence of loading level and testing frequency on fatigue life was studied using fracture energy rate curves. Micro-computed tomography (µ-CT) scans offer 2D images in angular increments. There are several ways to reduce the number of faces and vertices. Opensource software was used to isolate the cylindrical shell from interior pores and create finite element models from µ-CT projections. All simulations were on supposedly cylindrical fatigue specimens made by selective laser melting (SLM) based on previous experimental results of the authors. Crack propagation rate curves were utilized to evaluate the effects of loading level and testing frequency. At larger loads, the fracture area increases abruptly at 3E3 cycles, then stabilizes at 4E4 cycles in Al alloys in comparison to Ti-6Al-4V alloys. Crack propagation rate curves may be used to determine Paris constants based on the applied stresses. Full article

NaBH₄ is a very cheap and hydrogen-rich material, as well as a potential hydrogen store. However, the high temperature of its thermal decomposition (above 530 °C) renders it inapplicable in practical use. Here, we studied the effect of addition of diverse V-containing catalysts on thermal hydrogen desorption. It turns out that mechanochemical doping of NaBH₄ with vanadium metal, its oxides, or nanoparticles lowers the temperature of pyrolysis significantly. Notably, NaBH₄ milled for 3 h with 25 wt.% V₂O₅ or VO₂ releases ca. 70% of stored hydrogen in the temperature range of ca. 370–450 °C. On the other hand, precursors and solvents used to prepare rather uniform vanadium nanoparticles (~4 nm) suspended in THF or less uniform and larger ones (~15 nm) in o- difluorobenzene have adverse effect on the purity of hydrogen evolved. Full article

HfS₂ has recently emerged as a promising 2D semiconductor, but the lack of a reliable method to produce continuous films on a large scale has hindered its spreading. The atomic layer deposition of the material with the precursor tetrakis-dimethylamino-hafnium with H₂S is a relatively novel solution to this problem. This paper shows that it is a facile approach to synthesizing homogeneous and smooth HfS₂ layers in a controlled and reproducible manner. The deposition is examined at different temperatures and layer thicknesses, exploring the ALD window of the deposition and the chemical, morphological and electronic properties of the films. The method yielded films with wafer-sized uniformity and controlled properties and is, thus, a promising way to prepare this important transition metal dichalcogenide material. Full article

We extend our previous semi-empirical model for quantum transport in a conventional nano-MOSFET to FDSOI transistors. In ultra-thin-body and -BOX (UTBB) FDSOI transistors, the electron channel can be treated as an electron waveguide. In the abrupt transition approximation, it is possible to derive an analytical approximation for the potential seen by the charge carriers. With these approximations we calculate the threshold voltage and the transfer characteristics, finding remarkably good agreement with experiments in the OFF-state given the relative simplicity of our model. In the ON-state, our theory fails because Coulomb interaction between the free charge carriers and the device heating is neglected in our approach. Full article

Three-dimensional hybrid organic–inorganic lead halide perovskites are promising photovoltaic and light-emitting materials. A key phenomenon relevant for their optoelectronic applications is electron–phonon coupling. Since it can be strongly modified by structural deformation and changes in the dynamics of molecular cations, it is of great importance to study the temperature dependence of phonon properties of hybrid perovskites. In this work, temperature-dependent Raman scattering studies of FAPbBr₃ and MAPbBr₃ single crystals are reported in the 1800–22 cm⁻¹ and 300–90 K ranges. The Raman data of MAPbBr₃ showed clear anomalies near 236, 155 and 148 K, which were attributed to $Pm\overline{3}m$→I4/mcm→P4/mmm (or Imma)→Pnma phase transitions. They also provided strong evidence that crystal structure of the phase stable in the 155–148 K range is very similar to structure of the I4/mcm phase, not structure of the lowest-temperature Pmna phase, as suggested in some reports. Therefore, the symmetry of this phase seems to be more likely P4/mmm rather than Imma. An analysis of the temperature evolution of MAPbBr₃ Raman modes revealed that the phase transitions near 236 and 155 K are associated with weak distortion of the inorganic subnetwork and changes in the dynamics of MA⁺ ions. Very pronounced changes in the lattice modes region and a narrowing of bands below 148 K indicated that the phase transition to the Pnma phase is triggered by a freezing of MA⁺ motions, which in turn leads to strong distortion of the inorganic subnetwork. Raman studies of FAPbBr₃ showed that this material behaves in a very different way than MAPbBr₃. First of all, the molecular dynamics of FA⁺ cations are not frozen even in the lowest-temperature Pnma phase. Moreover, the distortion of the inorganic subnetwork is small in the Pnma phase. The observation of weak anomalies in the lattice modes region confirmed, however, that the two crystallographically resolved phase transitions ($Pm\overline{3}m$→P4/mbm near 260 K and P4/mbm→Pnma near 150 K) lead to weak distortion of the inorganic subnetwork. On the other hand, an analysis of FA⁺ internal modes indicated that these transitions, as well as two other crystallographically unresolved transitions near 120 and 180 K, are triggered by a change of FA⁺ dynamics. Full article

A novel Ti-Ni-Hf-Cu-Nb shape memory alloy has been developed by a new combinatorial alloy synthesis method, the Suspended Droplet Alloying. The influence of alloying elements on the transformation temperature, the microstructure and the shape memory effect of this alloy have also been studied. It was found that Cu has a greater negative influence on the transformation temperature of Ti-Ni-Hf-Cu_X alloys (about −5 K/at.%) than on the Ti-Ni-Cu_X alloys (−0.67 K/at.%). In addition, the negative effect intensifies with increasing Hf content. The transformation temperature rapidly decreases with increasing Nb composition in the Ti-Ni-Cu-Nb and Ti-Ni-Hf-Cu-Nb alloys, with the solid solution of Nb in the matrix being 1 at.%. A Ti-Ni-Cu-Hf-Nb alloy with high thermal cycle stability has been developed, where the alloying elements affect the transformation behaviour via altering the slipping energy and forming different types of precipitations. Full article

In many cases of heat treatment of steel products, the heated charge has a porous structure. The examples of such charges include bundles of long steel components e.g., bars. The basic thermal property of the charge in this form is effective thermal conductivity k_ef. This paper presents the results of experimental examinations of effective thermal conductivity of the porous charge, which is composed from various types of steel long components. Due to the specific nature of the samples, a special measurement stand was constructed based on the design of a guarded hot plate apparatus. The measurements were performed for sixteen different samples across a temperature range of 70–640 °C. The porosity of the samples, depending on the type of components used, ranged from 0.03 to 0.85. Depending on these factors, the effective thermal conductivity ranged from 1.75 to 8.19 W·m⁻¹·K⁻¹. This accounts for 0.03 to 0.25 of the value of thermal conductivity of the solid phase of the charge, which in the described cases was low-carbon steel. It was found that the effective thermal conductivity rises linearly with temperature. The intensity of this increase and the value of coefficient k_ef depend on the transverse dimension of the components that form the charge. The results may represent the basis for the validation of various models of effective thermal conductivity with respect to the evaluation of thermal properties of the porous charge. Full article

Improving morphological and electronic properties of the electron transport layer (ETL) is a critical issue to fabricate highly efficient perovskite solar cells. Tin dioxide is used as an ETL for its peculiarities such as low-temperature solution-process and high electron mobility and several handlings have been tested to increase its performances. Herein, SnO₂:ZnO and SnO₂:In₂O₃ composites are studied as ETL in planar n-i-p CH₃NH₃PbI₃ solar cells fabricated in ambient air, starting from glass/ITO substrates. Morphological, electrical and optical properties of zinc- and indium-oxide nanoparticles (NPs) are investigated. First-principle calculations are also reported and help to further explain the experimental evidences. Photovoltaic performances of full devices show an improvement in efficiency for SnO₂:In₂O₃–based solar cells with respect to pristine SnO₂, probably due to a suppression of interfacial charge recombination between ITO/ETL and ETL/perovskite. Moreover, a better homogeneity of SnO₂:In₂O₃ deposition with respect to SnO₂:ZnO composites, conducts an increase in perovskite grain size and, consequently, the device performances. Full article

Spark plasma sintering technique is used for the fabrication of dense materials with a fine-grained microstructure. In this process, a powder is placed into a graphite mold and a uniaxial pressure is applied by two graphite punches. A graphite foil is inserted between the punches and the powder and between the mold and the powder to ensure good electrical, physical and thermal contact. One of the major drawbacks during sintering of metal powders is the carburization of the powder in contact with the graphite foils. In this study, a PVD coating of titanium was applied on the graphite foils in contact with the metal powder (pure iron). The results are promising, as the investigations show that the application of a Ti PVD film of 1.5 and 1.1 µm thickness is effective to completely avoid the carburization of iron powder. Carbon diffuses inside the PVD film during sintering. In parallel, iron diffusion was revealed inside the Ti coating of 1.5 µm thickness. On the other hand, a Ti PVD film of 0.5 µm thickness provides a protection against carbon diffusion just on the sides in contact with the mold, proving that the coating thickness represents an important parameter to consider. Full article

Partially substituted cerias are attractive materials for use as electrolytes in intermediate-temperature solid oxide fuel cells (SOFCs). Ceria doped with Sm or Gd has been found to have high ionic conductivities. However, there is interest in whether doping with multiple elements could lead to materials with higher ionic conductivities. The present study looks at the effects of co-doping Sr and Sm in ceria. A compositional series, Ce_0.8+xSm_0.2−2xSr_xO_2−δ (with x = 0–0.08), designed to have a constant oxygen vacancy concentration, was successfully prepared using the citrate–nitrate complexation method. A solubility limit of ~5 cation% Sr was found to impact material structure and conductivity. For phase-pure materials, with increasing Sr content, sinterability increased slightly and intrinsic conductivity decreased roughly linearly. The grain boundaries of phase-pure materials showed only a very small blocking effect, linked to the high-purity synthesis method employed, while at high %Sr, they became more blocking due to the presence of a SrCeO₃ impurity. Grain capacitances were found to be 50–60 pF and grain boundary capacitances, 5–50 nF. The variation in the bulk capacitance with Sr content was small, and the variation in grain boundary capacitance could be explained by the variation in grain size. Slight deviations at high %Sr were attributed to the SrCeO₃ impurity. In summary, in the absence of deleterious effects due to poor microstructure or impurities, such as Si, there is no improvement in conductivity on co-doping with Sr and Sm. Full article

This publication summarises the current state of knowledge and technology on the possibilities and limitations of using mineral and synthetic fillers in the field of 3D printing of thermoplastics. FDM technology can be perceived as a miniaturised variation of conventional extrusion processing (a microextrusion process). However, scaling the process down has an undoubtful drawback of significantly reducing the extrudate diameter (often by a factor of ≈20–30). Therefore, the results produced under conventional extrusion processing cannot be simply translated to processes run with the application of FDM technology. With that in mind, discussing the latest findings in composite materials preparation and application in FDM 3D printing was necessary. Full article

The phenomenon of total external reflection of X-rays at a sliding angle of incidence of a beam of incident X-rays is investigated. For metals, a quantitative law of direct dependence of the refractive index decrement on the interplane distance is obtained. The excitation of surface plasmons by X-rays that have experienced complete external reflection is detected. For surface plasmons, a dimensional effect was observed, expressed in an increase in the energy of plasmons and the concentration of conduction electrons with an increase in the depth of the output of surface plasmons. By the method of dispersion of surface plasmons, internal mechanical micro-stresses and spontaneous polarization of the surface layers of glassy dielectrics and in thin layers of vanadium dioxide were determined. The absence of micro-stresses in the lithium fluoride ionic single crystal was found out, and the polarization observed in it is due to the large dipole moment of the molecules of this crystal. In thin films of vanadium dioxide, the dependence of micro-stresses on the stresses in the substrates was found. Full article