Vol 69, No 3 (2024)
ДИФРАКЦИЯ И РАССЕЯНИЕ ИОНИЗИРУЮЩИХ ИЗЛУЧЕНИЙ
The theory of synchrotron radiation limited beams diffraction in single crystal in the Laue case
Abstract
The features of the Bragg diffraction of coherent synchrotron radiation on the atomic lattice of a single crystal in the Laue geometry are studied theoretically, provided that the radiation beam is limited by a relatively large slit placed in front of the crystal. The method of numerical simulation is used and dependences of the intensity distribution are obtained for various thicknesses of the crystal. It is shown that the slit edges introduce inhomogeneous intensity distortions inside the Bormann triangles with an angle of 2θB, where θB is the Bragg angle. In the area where the triangles intersect, the intensity distribution is similar to that for diffraction by a slit in air at a certain (large) distance. An equation for the correspondence between the distance and the thickness of the crystal is obtained, which describes well the results of numerical calculations.
CRYSTALLOGRAPHIC SYMMETRY
The Curie principle and the Shubnikov system – to the further development of their ideas
Abstract
The Curie principle, which establishes a relationship between the symmetries of a cause and its effect, was originally developed for finite bodies (crystals), but Pierre Curie himself noted the possibility of its application to extended media. This direction was initiated by the works of A. V. Shubnikov (crystalline media) and I.I. Shafranovsky (mother solution), and it requires further development. The systems of limiting symmetries for finite bodies and extended media are compared. The former is partially correlated with the symmetry system of crystallographic point groups. For the latter, in addition to the known data from Curie and Shubnikov, the introduction of new types of limiting symmetries is theoretically justified, and a general systematization is proposed.
REAL STRUCTURE OF CRYSTALS
Effect of a traveling magnetic field on the parameters of doped tellurium gallium arsenide single crystals grown by the chokhralsky method
Abstract
The effect of a traveling magnetic field on the parameters of Te-doped GaAs single crystals in the carrier density range of 5 × 1017–2 × 1018 cm–3 has been studied. A traveling magnetic field was induced in a melt by a graphite inductor located in the setup chamber around the main heater. It is shown that a high-frequency magnetic field slightly reduces the dislocation density in the crystals without changing the shape of the dislocation distribution over their cross sections. The magnetic field affects the impurity distribution along the crystal axis, almost doubling the distance between the striation bands from 9 µm in the absence of magnetic field to 17 µm in a field with a frequency of 300 Hz.
Defect structure of tin-doped inas single crystals grown by the Czochralski method
Abstract
Indium arsenide (InAs) single crystals heavily doped with Sn are found to have various violations of structural perfection, which depend on the Sn concentration in different regions of crystal. At low charge-carrier (electron) concentrations (~1.5 × 1018 cm–3) an unusual annular distribution of dislocations in the cross section is observed for the initial parts of crystal. The dislocation density lies in the range of (0.1–1.0) × 104 cm–2. At a carrier concentration above 4.0 × 1018 cm–3 indium inclusions and “vicinal growth hillocks” are observed in the final parts of crystals. The dislocation density in the final cross sections of crystals, in which the aforementioned defects are not observed, is in the range of (0.4–2.1) × 104 cm–2.
STRUCTURE OF ORGANIC COMPOUNDS
Electron diffraction structure analysis of the amorphous polytetrafluoroethylene film
Abstract
A thin amorphous film of fluoroplast (polytetrafluoroethylene) was obtained and studied by the electron diffraction structure analysis methods. The previously developed method of constructing the radial distribution function of atoms by the electron diffraction patterns from amorphous structures is applied, based on the determination of the normalization coefficient by varying the thermal parameter. The possibility of applying and necessary adaptations of this technique for the studied polytetrafluoroethylene samples are shown, taking into account its not quite usual amorphous structure due to the rigid spiral conformation of polymer chains …–CF2–…, which does not allow us to speak about the complete absence of the long-range order of the arrangement of atoms along the direction of the spiral axis. The measurements were carried out using the developed registration system on the electron diffraction camera EMR-102.
STRUCTURE OF MACROMOLECULAR COMPOUNDS
Structure of the carboxypeptidase t from Thermoactinomyces vulgaris complex with L - phenyl lactate
Abstract
The crystal structure of the metallocarboxypeptidase T from Thermoactinomyces vulgaris complex with L-phenylactate was obtained with a resolution of 1.73 Å. Unlike pancreatic carboxypeptidase A, which binds one L-phenylactate molecule, in complex with CPT, the ligand occupies both S1 and S1ʹ sites of the active center simultaneously. In this case, conformational changes occur that differ from the changes caused by the alternate occupation of the S1 and S1ʹ sites by BOC-leucine and benzylsuccinic acid. These changes concern the residues E277, E59, L254, G192, S127 and Y218 and reach a span of 0.77 Å. A conclusion is made about the possible role of these residues in the recognition and catalysis of substrates by carboxypeptidase T.
ФИЗИЧЕСКИЕ СВОЙСТВА КРИСТАЛЛОВ
Influence of the domain structure of LaBGeO₅ polar crystals on their gyrotropic properties
Abstract
The spectra of transmission coefficients and absorption indices of monodomain and polydomain LaBGeO₅ samples were measured. It is shown that for a more accurate measurement of the rotation of the plane of polarization of light, it is necessary to use the transmission coefficient spectra not only for parallel and crossed polarizers, but also at other angles between them. The obtained values of p for both samples are described quite well by a single variance using the Drude formula. This is consistent with the fact that the value of p should not change with monodomenization of the crystal at a given symmetry (P31 in the ferroelectric phase and P3121 in the paraelectric phase). It is shown that the generation of the second harmonic of the Cherenkov type is observed only in a polydomain sample, while the radiation of the second harmonic is not polarized. The domain structure of the samples was observed by scanning electron microscopy and piezoelectric force microscopy. For a polydomain sample, the presence of a labyrinthine domain structure was shown, for a monodomain sample, no contrast changes were observed within the scanning area.
Two-dimensional ferroelectric crystals
Abstract
Within the framework of the Landau–Ginzburg theory, the kinetics of polarization switching of ferroelectric crystals and the transition from domain switching to homogeneous switching in nanoscale monocrystalline films are considered. It is shown that, within the framework of the chosen theory, homogeneous (domain-free) switching can be described only for two-dimensional ferroelectrics. Experimental results for two-dimensional films of ferroelectric polymer and barium titanate are presented. For ultrathin polymer films, these results are also confirmed by calculations based on first principles.
Upper limit of mobility and concentration of charge carriers in fluoride superionic conductors with fluorite and tysonite structures
Abstract
Within the framework of a crystal-physical model, the maximum values of mobility and concentration of charge carriers in fluoride superionic conductors belonging to the structural types of fluorite (CaF2, SrF2, BaF2, PbF2) and tysonite (LaF3) were calculated. It has been shown that the upper limit of ionic conductivity, mobility and charge carrier concentration in the crystalline state of fluoride superionics is 4 ± 1 S/cm, (5 ± 1) × 10–3 cm2/(сВ) и (5 ± 2) × 1021 cm–3 (10 ± 4% of the total fluoride ions), respectively.
Determination of optimal directions of the wave vector of the phase holographic grating in cubic photorefractive crystal
Abstract
The dependence of the change in the components of the inverse permittivity tensor of a cubic photorefractive Bi12SiO20 crystal on the direction of the wave vector of holographic grating in the crystal coordinate system has been studied. It is shown that, when recording a phase hologram, the largest change in the refractive index of Bi12SiO20 crystal is attained when the holographic grating wave vector is oriented along symmetrically equivalent <111> directions. The maximum possible modulation amplitude of the refractive index of a holographic grating with the wave vector oriented along the <110> directions is found to exceed that in the case of orientation along the <100> directions. The components of the inverse permittivity tensor of Bi12SiO20 crystal were calculated taking into account that a phase hologram is recorded under linear electro-optic, photoelastic, and inverse piezoelectric effects.
ПОВЕРХНОСТЬ, ТОНКИЕ ПЛЕНКИ
Polycrystalline methylammonium-lead bromide perovskite films for photonic metasurfaces
Abstract
Polycrystalline films of organo-inorganic perovskite semiconductors are promising as a foundation for creating functional optical metasurfaces. The requirements for film structural perfection, thickness uniformity, and defect-free characteristics are much more stringent compared to perovskite films for photovoltaics. This work presents the results of searching for optimal conditions for one-step synthesis of lead methylammonium bromide films using centrifugation, and describes the successful fabrication of subwavelength optical gratings from these films through focused ion beam processing. The measured spectra of light transmission through the gratings demonstrated their excellent optical quality and confirmed the possibility of creating semiconductor photon metasurfaces with submicrometer periodicity and high-Q dielectric resonances.
Conductivity and real structure of cesium hydrosulphosphate crystals
Abstract
Superproton crystals obtained in the water-salt system CsHSO4–CsH2PO4–H2O were studied using electric atomic force microscopy. At 296 K for the Cs3(HSO4)2(H2PO4) and Cs4(HSO4)3(H2PO4) samples, local current-voltage characteristics were measured depending on the crystallographic orientation, the anisotropy of conductivity was established, and the degree of dependence of the conductive properties on the composition of the compounds was shown. Twin structures on cleavage fractures and their correlation with the atomic structure of monoclinic crystals are considered. The common features and differences in the atomic and real structure of mixed crystalline phases and the influence of hydrogen subsystems on their properties are discussed.
Chain-melting phase transition in a lamellar film of dimyristoyl-phosphatidylserine on the surface of a silica hydrosol
Abstract
Structural dynamics of multilayer of dimyristoyl-phosphatidylserine formed on the surface of silica sol with 5 nm nanoparticles size has been investigated by X-ray reflectometry and grazing-incidence diffraction at 71 keV photon energy. Combined model-based and modelless analysis of reflectometry data revealed the structure consisting of a surface monolayer and a stack of lamellar bilayers sandwiched between water layers, with a spatial period of ~ 150 Å. With increase in temperature above the chain-melting point the surface monolayer is observed to transition from a surface crystal phase with minimal area-per-lipid value of (40 ± 1) Å2 to a disordered liquid phase with estimated area-per-lipid value of (52 ± 2) Å2. Under low temperatures both monolayer and bilayer slabs contain 5 to 8 H2O molecules bound to lipid PS-fragment; however, above the melting point the amount of contained water rises to about 14 molecules per bilayer headgroup.
Selecting a target for obtaining films of higher manganese silicide using magnetron sputtering
Abstract
A film of manganese silicides on mica was obtained using a magnetron sputter from three types of targets. Microstructure and elemental composition of targets and films studied by scanning electron microscopy and electron reflection diffraction methods. The phase composition and texture of films by thickness (cross sections) were controlled by scanning and transmission electron microscopy. It has been shown that when depositing films from a poly- and single-crystalline target of higher manganese silicide, in contrast to a target of sintered Mn and Si powders, after successive annealing at a temperature of 800 K and a temperature of 10–3 Pa for 1 hour, polycrystalline films of higher silicide can be obtained. manganese composition Mn4Si7.
Insights into high-dose helium implantation of silicon
Abstract
The paper reports an analysis of surface morphology variation and cavity band formation in silicon single crystal induced by ion implantation and post-implantation annealing in different regimes. Critical implantation doses required to promote surface erosion are determined for samples subjected to post-implantation annealing and in absence of post-implantation treatment. For instance, implantation with helium ions to fluences below 3 × 1017 He+/cm2 without post-implantation annealing does not affect the surface morphology; while annealing of samples implanted with fluences of 2 × 1017 He+/cm2 and higher promotes flaking.
Determination of the structure of weakly ordered films according to x-ray diffraction data
Abstract
A method for searching for parameters of structural models of weakly ordered thin films based on X-ray diffraction data containing a small number of reflexes is proposed. The developed method makes it possible to narrow down the number of possible structural models, despite the small number of interference maxima, determine the parameters of possible elementary cells and index the corresponding peaks on diffractograms. It is shown how the use of a priori data makes it possible to obtain physically adequate solutions. The method of determining structural parameters is demonstrated by analyzing an experimental curve containing only 3 diffraction peaks (maxima).
The corresponding search algorithms are implemented within the framework of the analytical software package BARD (Basic Analisys of xRay Diffraction).
НАНОМАТЕРИАЛЫ, КЕРАМИКА
Influence of copper powder structure on the catalytic properties of cerium oxide
Abstract
The influence of the structure of copper powder particles on the catalytic activity of the CeO2/Cu catalyst was studied using the methods of X-Ray diffraction, electron microscopy, electron diffraction, energy dispersive X-Ray analysis, as well as programmed temperature reduction of CO (CO-TPR). Nanocomposites were obtained by mechanochemical synthesis using copper particles differing in size and morphology: micron-sized dendrites and nanoparticles. It was shown that the activity of the catalyst obtained from nanosized copper is two times higher, which is due to the presence of CuxO clusters located on the atomic steps of cerium oxide nanocrystals. This arrangement of clusters apparently ensures that the activating centers are not blocked. Thus, the surface structure of cerium oxide particles formed when using nanosized copper powder is a key factor responsible for the catalytic activity.
Fluorine conducting ceramics based on BiF3
Abstract
The temperature dependence of the ionic conductivity of a ceramic sample of the Bi0.94Ba0.06F2.94 solid electrolyte was studied using impedance spectroscopy in the temperature range 293–473 K. The ceramics was obtained by solid-phase synthesis (873 K, 3 h) in a closed Cu ampoule and is a heterovalent solid solution of tysonite structure (space group) with lattice parameters a = 7.1482(8) and c = 7.3279(5) Å. The conductivity value at room temperature and its activation enthalpy are equal to σcer = 3 × 10–5 S/cm and DHs = 0.49 ± 0.05 eV, respectively. The ion-conducting properties of isostructural solid electrolytes Bi1–yBayF3–y and La1–yBayF3–y with similar values of ionic radii of matrix cations (1.17 and 1.16 Å for Bi3+ and La3+, respectively) are compared. The conductivity at 473 K of Bi0.94Ba0.06F2.94 ceramics exceeds the electrical conductivity of ceramics and La0.95Ba0.05F2.95 single crystals by 6 and 3.3 times, respectively.
The influence of chemical structure spacings on the fluorocopolymers nano-organization
Abstract
In ternary fluoropolymers Viton GFLT 600S and Viton GFLT 200S, more types of nanoformations with the size of 3–80 nm are found than in double SCF-26 and SCF-32, while their prehistory changes according to the X-ray diffraction analysis data in the region of large angles. This process is more influenced by the chemical structure of the junctions in the macromolecules than by the molecular weight. The complex and unequal character of change of dynamic viscosity of fluoropolymers with temperature increase is caused by multiple phase transitions. It is shown that fluorocarbon rubber SKF-32 does not transition to the viscous-fluid state up to ~190°C in contrast to three fluoropolymers due to intermolecular nanoformations of 5 nm in size, the strength of which is significantly higher than nanoformations of 3–4 nm in the latter. It was found that the rotational mobility of the TEMPO radical is determined not so much by the intermolecular distances in the disordered part of the copolymers as by the flexibility of the passing chains connecting the ordered formations into a single system.
The nano-organization structure of triple fluorocopolymer
Abstract
Three nanostructures with size 37–130 nm discovered in the triple fluorocopolymer with different temperature past by X-ray pattern at small and wide angles. Two level of order nano-organization are determined which change with phase transitions above glass transition. The conformation TGTG′ of vinyledenfluoride microblockes passage in conformation zigzag at the ρ3′–ρ5′ transitions in triple fluorocopolymer different from polyvinyldifluoride.
CRYSTAL GROWTH
Characterization and photocatalytic properties of zno tetrapods synthesized by high-temperature pyrolysis
Abstract
The presented work presents the structural and morphological characterization and the results of studies of luminescent, photocatalytic properties of ZnO tetrapods synthesized by the method of high-temperature pyrolysis. It has been shown that the morphology and structural parameters of ZnO tetrapods are determined by the location in the synthesis zone (correlated with the distance from the air inflow window). All samples were characterized by pseudo-three-dimensional morphology of tetrapods. A correlation was found between luminescent properties and photocatalytic activity of tetrapods. The highest photodegradation rates of methylene blue under ultraviolet radiation were demonstrated by ZnO tetrapods grown in the zones closest and farthest from the window (rate constants 54 × 10–3 min–1 and 50 × 10–3 min–1, respectively).
Al₂O₃ Melt interaction with nitrogen at high temperatures and pressure 1 bar
Abstract
The main chemical reactions of interaction in the Al₂O₃−N₂ system have been determined for a temperature of 2400 K and a pressure of 1 Bar. It was found that in the absence of direct interaction of nitrogen (molecular and atomic) with the melt, chemical reactions between nitrogen and products of dissociative evaporation of Al₂O₃ melt are possible. Nitrogen oxidation reactions and interaction reactions of nitrogen oxides with the melt, both directly and with the participation of elemental oxygen or gaseous aluminium oxides, have been determined. It is demonstrated that elemental forms of nitrogen can interact with the melt together with nitrogen oxides and (or) with all Al-containing components of the system. Concentrations of gaseous substances in equilibrium with Al₂O₃ melt were calculated by the Monte Carlo method.