An Erratum to this paper has been published: https://doi.org/10.1134/S1063783421030203

Abstract A simple statistical model of the diffusion of impurity atoms in the crystal lattice of metals has been developed. The relationship between the diffusion flux of atoms and the gradient of their chemical potential is obtained from the basic principles of statistical thermodynamics. For an ideal solid solution of a substance atoms in a metal, an expression is found for the zero diffusion coefficient

Abstract The data on the EPR, photoluminescence (PL), and current transfer in porous silicon (PS) on KDB-0.3 and KES-0.01 Si, which was oxidized by 10-min isochronous thermal annealing in air at temperatures Tann from 20 to 900°C, as well as in HNO3, are presented in order to further clarify the nature of Pb centers of nonradiative recombination. The maximum PL quantum yield was observed during the

Abstract The phenomenon of self-organized change in the composition of epitaxial layers of the AlxGa1 ‒ xN solid solution during their growth by chloride-hydride epitaxy on SiC/Si(111) hybrid substrates is discovered using spectral ellipsometry, Raman spectroscopy, and scanning microscopy with an X-ray spectrometer. It is found that interlayers or domains consisting of AlGaN of stoichiometric composition

Abstract Hydrothermally grown ZnO nanowires (NWs) have been successfully synthesized and surface modified by an ultrathin layer of CuO using dip coating technique to achieve a highly sensitive H2S sensor. XRD analysis confirmed the hexagonal structure of ZnO without any Cu sub-oxide peaks. After CuO modification, the peak shift was observed in the electronic states of O and assigned to the defects

Abstract Solid solution YCuxMn1 – xO3 ceramics of with x = 0.05, 0.10, and 0.15 have been produced by the solid-phase reaction method with subsequent sintering by common ceramic technology. The structure, the microstructure, and the dielectric properties of the ceramics have been studied, including the measurements of the temperature–frequency dependences of the relative dielectric permittivity and

Abstract The possibility of using implantation of 20-keV He+ ions for modification of the domain structure and magnetic properties of CoPt films (formed by the electron-beam evaporation method) with different cobalt contents (Co0.45Pt0.55 and Co0.35Pt0.65) has been investigated. A decrease in the coercive field (narrowing of the hysteresis loop in the magnetic-field dependences of the Faraday angle

Abstract By analogy with graphane and fluorographene, a model of graphane-like h-AB–C compounds is proposed, in which atoms A and B occupy sites of a plane hexagonal lattice and C atoms bounded with atoms A and B are arranged by the opposite sides from the AB plane. Numerical estimations are performed for the h-A3B5–C4 compounds, where atoms A, B, and C belong to the same series of the periodic table

Abstract A series of polycrystalline samples with nominal compositions Fe1.02 – xPdxSe0.5Te0.5 (x = 0, 0.02, 0.05, 0.1, 0.15, 0.2) has been synthesized and studied by means of the X-ray diffraction, scanning electron microscopy, electrical resistivity and magnetization measurements. An increase in the Pd content above x = 0.02 leads to the phase segregation and the appearance of a non-superconducting

Abstract The present paper provides a numerical analysis of DNA hybridization occurrence on graphene-coated GaAs SPR sensor (SF10 prism–Au–GaAs–graphene–phosphate buffer saline (PBS) solution). The angular interrogation method is used to comprehend sensor performance through SPR curves. Single-stranded DNA present in PBS solution, on hybridization with its complementary DNA, results in desorption from

Abstract Electrical and dielectric properties of polycrystalline yttrium–iron garnet samples grown by the technology of radiation-thermal sintering in the fast electron beam are considered. In the frequency range from 25 Hz to 1 MHz, the normal complex permittivity, dielectric loss tangent, and ac conductivity spectra are measured. For comparison, in addition to frequency measurements, dc resistivity

Abstract The physical properties of the NiB4O7 and CoB4O7 tetraborate compounds in three structural modifications with the sp. gr. Pbca, Cmcm, and P6522 have been calculated using the density functional theory in the VASP software package. The pressure dependences of the enthalpy of the compounds in the investigated structural modifications have been calculated. The calculated electron densities of

Abstract The piezoelectric effect theory is developed in rare-earth ferroborates. It is established that mainly single-ion mechanisms are responsible for the appearance of the effect: the existence of mechanical stresses leads to the induction in a crystal of dipole electric moments immediately in electron 4f shells of rare-earth ions, which leads to the crystal polarization. The effect is considered

Abstract Substitutional solid solutions Mn1 – xFexNiGe (0.05 ≤ x ≤ 1.00) were synthesized. X-ray and neutron diffraction methods were used to study their crystal structure in the temperature range of 20–300 K. A phase transition from the hexagonal structure of the Ni2In type into the orthorhombic structure (space group Pnma) was found at T = 200 K. Magnetic properties of the obtained compounds were

Abstract The phase transitions in the homologous series of normal alkanes: hexadecane (C16H34), heptadekane (C17H36), octadekane (C18H38), nonadekane (C19H40), and eicosane (C20H42) have been studied by differential scanning calorimetry. The elimination of methodic errors enables the obtainment of true values of the thermodynamic parameters of these transitions. The quantitative analysis of the profiles

Abstract The possibility of modifying the properties of a (Ga,Mn)As layer on the surface of a quantum-size InGaAs/GaAs-structure by laser annealing with the conservation of its emitting properties is studied. To perform these studies by a combination of the methods of MOC-hydride epitaxy and pulsed laser deposition, the structures have been prepared with four quantum wells InGaAs/GaAs (indium contents

Abstract The concentration and temperature transitions in strongly correlated Fe1 – xCoxSi alloys with the Dzyaloshinski–Moriya (DM) interaction are considered in terms of the spin-fluctuation theory taking into account the results of LDA + U + SO calculations of the density of electronic states. It is shown that the concentration order–order transitions with change in the sign of the left spin chirality

Abstract The electronic energy-band structure of the PrBaCo2O5 + δ cobaltite at the oxygen content close to 5.5 are calculated by the first-principle PAW methods. The semiconductor–metal phase transition at 5 + δ = 5.5 is shown to be a result of the transition of cobalt atoms in the octahedral environment from the high-spin to low-spin state. The cause of the appearance of the metallic conduction is

Abstract Seebeck coefficient has been studied on the single crystals of metallic hexaborides RB6 (R = La, Pr, Nd, Gd) at temperatures of 2–300 K. The experiment has shown that the signal is limited by the values |S| ≤ 1.5 μV/K for all tested materials. The data obtained for the systems LaB6 and GdB6 were approximated by phonon drag contribution caused by quasi-local (Einstein) mode with characteristic

Abstract We report on the results of investigations of superconductivity in the Bi–Sn binary alloy with a eutectic concentration of 57 wt % of Bi and 43 wt % of Sn. The temperature and field dependences of the dc magnetization have been measured in the range of 1.8–20 K in magnetic fields of up to 20 kOe using a Quantum Design MPMS3 SQUID magnetometer. A two-stage phase transition with diamagnetism

Abstract The electric field effect in electron spin resonance spectra of Fe3+ and Mn4+ impurity ions in thin oriented single-crystal plates of strontium titanate has been studied; the crystal structure of these samples at T > 105 K is tetragonal (i.e., differs from both cubic and antiferrodistortive tetragonal structure that is inherent in SrTiO3 at T < 105 K). It is shown that the electric field effects

Abstract The effect of strong stoichiometry violations in the structural type of fluorite (CaF2) on the microhardness of Ba0.9R0.1F2.1 (R = rare-earth elements La–Lu) crystals is studied. The mechanical hardening of heterovalent solid solutions Ba0.9R0.1F2.1 as compared to the BaF2 matrix is due to the formation of nanosized clusters of point defects [Ba8R6F69] substituting structural fragments [Ba14F64]

Abstract Results of ab initio molecular-dynamic investigation of the electronic and thermophysical properties of methane hydrate with cubic structure sI are represented. The simulation results for specific heat at constant volume and density are in good agreement with experimental data. The temperature dependences of the electronic properties of methane hydrate (including Fermi energy level and width

Abstract In this study, titanium dioxide (TiO2) nanocolloid was synthesized through sol–gel method, and nonlinear optical properties were studied using z-scan method. The refractive index and other nonlinear optical properties of the nanomaterials were measured using z-scan technique. Also, a Fabry–Perot interferometer was utilized to explore the changes of output intensity from the colloid by using

Abstract In polycrystalline cerium iron garnet films, the gap in the electron excitation spectrum and electronic transitions between di- and tetravalent iron and cerium impurity ions have been established from the IR absorption spectra. The temperatures of delocalization of the ferrous states of iron have been found from the impedance spectroscopy, electrical resistance, and IR spectroscopy data. The

Abstract Various X-ray topography methods for visualizing crystal lattice defects are described, issues of the formation of diffraction contrast are considered, and examples of the use of X-ray topography for studying various structural defects of the crystal lattice are given.

Abstract The results of a study of the unoccupied electronic states of ultrathin films of bis-carboxyphenyl-phthalide (DCA-DPP) and bis-methylphenyl-phthalide (DM-DPP) up to 8 nm thick are presented. The studies are carried out by total current spectroscopy (TCS) in the energy range from 5 to 20 eV above EF during thermal vacuum deposition of these organic films on the surface of highly ordered pyrolytic

Abstract Zitterbewegung (jittery motion) of Dirac electrons in single-layer graphene is considered as a nonrelativistic analog of the phenomenon predicted by Erwin Schrödinger for relativistic electrons in free space. It is shown that Dirac electrons in single-layer graphene experience fast fluctuations of their positions around the mean value with fairly a high frequency, which, however, is much lower

Abstract The results of detection of resonant amplification of light scattering intensity by optical phonons in a homoepitaxial nanoscale 70 nm thick n-GaP layer grown by gas-phase epitaxy from organometallic compounds on a conducting strongly doped n-GaP crystal substrate oriented along the (001) axis have been presented. It has been shown that it is possible to detect rather narrow bands of second-order

Abstract The dynamics of objects of various physical origins in barrier structures of superconductors, magnetic materials, quantum crystals and other solids is determined by the rate of fluctuation decay of metastable states in intermediate minima of a potential barrier. In a low-temperature region important for many nanotechnological applications, thermal fluctuations are frozen and are replaced by

Abstract The electronic structure of the gold fullerene molecule Au42 has been studied within the framework of the Hubbard Hamiltonian. Expressions are obtained for the Fourier transforms of the Green’s functions, the poles of which determine the energy spectrum of the considered nanocluster. The energy spectrum of Au42 is studied in comparison with the spectrum of the icosahedral gold fullerene Au32

Abstract In DyPr–FeCo–B microwires with easy magnetization axis directed along the microwire axis, domains with radial magnetization are detected using magneto-optical indicator films. The width of radial domains decreases as the field increases to 30 mT and increases with the microwire diameter in the range of 60–105 μm. In wires of smaller diameter, the critical field of radial domain formation is

Abstract Using Mössbauer spectroscopy, magnetometry and X-ray diffraction, we have studied the BaYxFe12 – xO19 hexaferrite (0.1 ≤ x ≤ 1.2). The low isomorphic capacitance of hexaferrite is shown, which leads to phase separation with the formation of ВаFe2O4 and Y3Fe5O12 for x = 0.6. Mössbauer spectroscopy data have shown that, in the studied range of substitutions, Y3+ ions enter the 12k position with

Abstract The third-order elastic constants, the pressure dependences of the second-order elastic constants, the Kleinman and Grüneisen parameters, and the thermal expansion coefficients have been estimated for nine IV–IV compounds and 13 III–V compounds using the Keating’s and Harrison’s models. The dependences of the results on the Phillips bond iconicity and the distance between the nearest neighbors

Abstract— It has been established that the Leontiev formula is in satisfactory agreement with the Grüneisen equation. A comment on the derivation of this formula has been given. The apparent contradiction in it has been discussed. Its application to crystalline and glassy solids has been considered. It has been shown that we can deduce the Belomestnykh–Tesleva relation, according to which the Grüneisen

Abstract The thermodynamic properties of bcc and fcc iron phases are calculated at the temperature of the polymorphic bcc–fcc phase transition using the method of calculating properties of a crystal developed before on the base of the Mie–Lenard-Jones pairwise potential. 23 properties of iron and their changes during the bcc–fcc transition have been calculated. The calculations show that the properties

Abstract The physical properties of two new quaternary Heusler alloys CoMnVSn and CoMnVSb were systematically studied by using first-principles calculation. The results show that the type-1 structures of ferromagnetic phase for these two alloys are the most stable. They all exhibit half-metallic behavior at equilibrium, and their half-metallic characteristics are maintained in the lattice region of

Abstract The behavior of manganese impurity in three-dimensional Dirac semimetal Cd3As2 has been studied using the electron paramagnetic resonance (EPR) method and electromagnetic measurements. It is found that, in contrast to doping with europium, doping with manganese (as well as iron) does not change the sign of magnetoresistance, which is almost completely suppressed at high manganese concentrations

Abstract The nanocomposite samples, containing copper and iron species in the silica matrix, were prepared by annealing at temperatures up to 1100°C. The samples were investigated by X-ray diffraction analysis, Fourier transform infrared spectroscopy, and cyclic voltammetry. The results of the performed study depict to the presence of a temperature gradient, which acts on the sample during the annealing

Abstract The effect of the solution acidity on the crystal structure of cobalt during its chemical deposition is reported. It has been shown using the structural and magnetic examination and nuclear magnetic resonance study that the change in the working solution acidity leads to deposition of cobalt with different allotropic modifications in the nearest environment: the hcp type in the small (up to

Abstract Optical properties and the temperature dependence of the permittivity of a multilayer structure of a variozone ferroelectric barium-strontium titanate deposited on a single-crystal leucosapphire substrate are studied. The results of mathematical modeling and experimental study of the transmission and reflection coefficient of the structure in the spectral range of 300–1100 nm at small angles

Abstract Germanate TbGaGe2O7 has been obtained from the initial Tb2O3, Ga2O3, and GeO2 oxides by the solid-phase synthesis. The germanate structure has been established by X-ray diffraction. Room-temperature luminescence spectra of the compound have been recorded. The effect of temperature on the heat capacity of the oxide compound has been investigated by differential scanning calorimetry. The thermodynamic

Abstract The critical current of a model high-temperature superconductor (HTSC) with defects in the form of through holes (antidots) with characteristic sizes on the order of the magnetic-field penetration depth (or larger) is calculated. To this end, subprocesses equivalent to the magnetic-flux trapping by a hole and creation of a vortex near the hole edge are introduced into the model of a layered

Abstract The “temperature–defect concentration” phase diagram of quasi-one-dimensional Ising models with defects of the “random local field” type is studied. The competition of the tendency to the formation of a long-range order due to a weak interaction between one-dimensional spin chains and the tendency to the formation of the Imry–Ma phase in which the order parameter follows fluctuations of a

Abstract It is shown that the introduction of cellulose ester mixed with acetotrimethyl acetate into films of organometallic perovskite CH3NH3PbBr3 significantly increases their stability while maintaining the optical and photoelectric properties of perovskite. It is found that, upon the introduction of 10–20 wt % mixed cellulose ester in CH3NH3PbBr3, the resistivity of the composite increases by a

Abstract In this research, the solution casting technique has been used to synthesize composite with different weights of VCl3 embedded in polyvinyl alcohol (PVA), in the form of films. X-ray diffraction (XRD) patterns display a broad peak with low intensity of high doping composite films, reflecting an increase in the non-crystallinity and the internal strain. The complex formation between the OH–

Abstract The polarized optical absorption spectra in the region of a series of the f–f transitions of Nd3+ ions in the Ho0.75Nd0.25Fe3(BO3)4, Nd0.5Gd0.5Fe3(BO3)4, and NdFe3(BO3)4 crystals at 90 K have been compared. The spectral features related to the difference in the local environment of Nd3+ ions in these crystals have been established. In the region of the transition 4I9/2 → 4G5/2 + 2G7/2 of Nd3+

Abstract The equilibrium distributions of the misfit dislocation density ρ(z) and elastic stresses ε(z) are calculated along the direction of the epitaxial growth of the metamorphic InAlAs/GaAs(001) layer with higher In content (to 87 mol %) and various profiles of varying the composition: step, linear, and root. The calculations are performed using the method based on iteration searching for the minimum

Abstract Formulas of efficient relaxation time are obtained for the cases when the free length of electrons is less or comparable with the characteristic dimensions of metallic regions. The frequency dispersion of optical characteristics of spherical bimetallic particles is calculated near plasma resonance in the absence of quantum-size effects. Retaining the style of common description of metallic

Abstract The accumulation of defects during uniaxial compression of a natural heterogeneous material has been studied experimentally. The defect formation process has been controlled using two methods of nondestructive testing: acoustic emission (AE) and X-ray computer tomography (CT). Simultaneous use of these methods makes it possible to establish the correspondence between the energy characteristics

Abstract Influence of the chemical pressure (x) in single crystals of FexMn1 – xS (0.12 ≤ x ≤ 0.29) on the spin state of iron ions was studied by Mössbauer spectroscopy in the temperature range from 4.2 to 300 K. Peculiarities of formation of the paramagnetic and antiferromagnetic phases of solid solutions were found. Substitution of Fe2+ cations in the high-spin state for Mn2+ was found to occur in

Abstract Compact waveguide laser sources emitting at wavelength around 1.0 μm are interesting in a multiple of application. In present work, we demonstrate a crystalline waveguide in Yb:Lu3Al5O12 (Yb:LuAG) crystal irradiated by 4.5-MeV Si ions at fluences of 1.0 × 10–15 cm–2. A typical “barrier-confined” waveguide geometry is confirmed by performing the prism-coupling measurement at a wavelength of

Abstract In this study, the first-principles calculation which is grounded on the density functional theory is employed to conclude the structural, optical, and electronic properties of pure and Al-incorporated SnZrO3 (SZO). The effect of Al on structural, optical, and electronic properties using generalized gradient approximation and ultra-soft pseudo potential is discussed. The aim of this study

Abstract The review is dedicated to characteristics of the mechanical behavior of various materials at submicro- and nanoscale levels. To a large extent, progress in this area is determined by the development of a large family of methods for precision force nanotesting, which have been referred to as “nanoindentation”. However, nanomechanical properties are studied to date not only and not so much

Abstract Analytical expressions for the electronic band dispersion were derived using the Green’s function method in the tight binding approximation. A parabolic approximation of the spectrum is proposed, within which the effective carrier mass and quantum capacitance are determined. Using the Koster–Slater and Haldane—Anderson models, the problem of local states of mono- and divacancies are considered

Abstract The computer simulation methods have been applied to calculate structure and energy of symmetric tilt grain boundaries (GB) with the misorientation axes [110] and [111]. The calculations have been carried out with the use of the structural-vacancy model. The study of the atomic structure has been carried out within the entire range of misorientation angles. The reverse density of coincidence

Abstract Stationary states of a single-walled carbon nanotube array lying on a flat substrate formed by the surface of a molecular crystal are investigated. Numerical modeling showed that in the case of weak interaction with the substrate it is more energetically favorable for nanotubes to get assembled into multilayer packing, while in the case of strong interaction (e.g., the interaction with the

Abstract Based on the theory of diffuse martensitic transitions (DMT), the physical mechanism of the influence of dispersed precipitate nanoparticles on the appearance of such features of the deformation behavior of alloys with the shape memory effect (SME) as the stabilization of martensite at temperatures significantly higher than the As and Af temperatures characteristic of an alloy in the absence

Abstract The behavior of localized plastic flow autowaves in a Fe–Ni–Cr alloy at temperatures 143 K ≤ T ≤ 420 K is considered. The temperature variation of the autowave propagation velocity is studied. It is found that, for the region of low temperatures, the autowave velocity is inversely proportional to the work hardening coefficient and the quadratic dispersion law takes place. The elastoplastic

Abstract Impurity Cr2+ ions in the CdSe crystal are studied by tunable EPR spectroscopy in the frequency range of 70–320 GHz. The discovered Jahn–Teller tetragonal distortions of the nearest environment of the chromium ion confirm the results of recent ultrasound studies. The set of spectroscopic parameters that allows obtaining agreement between the calculates and experimental angular and field–frequency