Vol 58, No 10 (2016)

The VT1-0 titanium alloy (phase α-Ti) with various hydrogen and hydrogen-vacancy concentrations has been studied. The stability of the 32-atom Ti–nV–mH supercell (n is the number of the V vacancies, and m is the number of hydrogen atoms H) with varying numbers of vacancies and hydrogen atoms has been calculated from the first principles. The structural state of the α-Ti phase has been identified by the Rietveld method based on the calculations of the supercell stability and the data on the defect concentration obtained using positron spectroscopy. The complete structural information on the considered states of the α-Ti phase (the lattice parameters, spatial distribution of titanium and hydrogen atoms and vacancies) has been obtained.

The influence of fractal normal phase clusters on the electric field induced by the flow and creep of the magnetic flux in percolation superconductors has been considered. The current–voltage characteristics of such superconductors with allowance for the influence of the fractal dimension of cluster boundaries and the pinning barrier height have been obtained. The vortex dynamics in percolation superconductors with a fractal cluster structure in a viscous flow of the magnetic flux, the Anderson–Kim creep, and the collective flux creep has been analyzed. It has been discovered that the fractality of normal phase clusters reduces the electric field arising in the initial stage of the resistive transition.

The potential to grow filamentary GaN nanocrystals by molecular beam epitaxy on a silicon substrate with a nanosized buffer layer of silicon carbide has been demonstrated. Morphological and optical properties of the obtained system have been studied. It has been shown that the intensity of the photoluminescence spectrum peak of such structures is higher than that of the best filamentary GaN nanocrystals without the buffer silicon carbide layer by a factor of more than two.

The electrical conduction of a high-resistance SrTiO₃ crystal due to the presence of conductive nanowires in the bulk of the sample exhibits an unsteady-state behavior, which, in particular, manifests itself in a long-term decrease of the electric current at a fixed value of the applied voltage. This process, as well as the recovery of the initial conduction, is characterized by a wide range of times from several tens of seconds to ten days. It has been found that a decrease in the electric current is associated with a change of the electrical conductivity in the reverse-biased contact region most likely due to an increase in the height/width of the surface barrier. The modulation of the energy profile of the barrier can have a multidirectional character depending on the sign of the charge formed with the participation of surface states at the electrode–crystal interface. The results obtained have made it possible to elucidate the mechanism of charge transfer in local regions of the contact, where metallic nanowires penetrate deep enough into the depleted barrier layer.

A structure on the basis of coupled magnonic crystals has been considered, for which a nonlinear model in the form of a system of nonlinear Schrödinger equations has been developed. By numerical simulation, the possibility of nonlinear branching of the signal has been shown, in which, depending on the input amplitude, pulses exit through different ports of the coupled structure. The results of this work can be used for developing magnonic crystal devices for functional processing of microwave signals.

Complex studies have been performed for the structural, static magnetic, and resonance properties of a new magnet LiCuFe₂(VO₄)₃ prepared by solid-phase synthesis. The temperature dependence of the susceptibility has an anomaly at temperature T_max = 9.6 K. At high temperatures, the LiCuFe₂(VO₄)₃ sample is in the paramagnetic state described by the Curie–Weiss law at T > 50 K and mainly determined by iron ions with effective magnetic moment μ_eff(exp) = 8.6μ_B per formula unit. At low temperatures, a long-range magnetic order is observed in the magnetic subsystem of the sample; the order is predominantly characterized by the antiferromagnetic exchange interaction and high frustration level. The exchange interaction parameters are estimated in a six-sublattice representation of the LiCuFe₂(VO₄)₃ magnet. It is shown that the LiCuFe₂(VO₄)₃ compound is an antiferromagnet with strong intrachain and frustrating interchain exchange interactions.

Weak ferromagnetic moment along the triad axis of FeBO₃ crystals has been calculated on the basis of the single-ion model taking into account the cubic invariant of the crystal field in the spin Hamiltonian.

Temperature m(T) and time m(t) dependences of the magnetic moment of GaMnSb thin films with MnSb clusters have been measured. The m(t) dependences are straightened in semilogarithmic coordinates m(lnt). The temperature dependences of magnetic viscosity S(T) corresponding to the slope of straight lines m(lnt) have been studied. It have been demonstrated that the behavior of dependences S(T) is governed by the lognormal distribution of the magnetic anisotropy energy of MnSb clusters. It have been found that the behavior of dependences m(T) measured after the films were cooled in zero magnetic field and in magnetic field H = 10 kOe is also governed by the lognormal distribution of the magnetic anisotropy energy of MnSb clusters.

For the system with the n-component order parameter (O(n)-model), conditions for initiation of the Imry–Ma disordered state resulting from the influence of impurities of the “random local anisotropy” type were discovered. The initiation of such a state was shown to be possible if the distribution of local anisotropy axes directions in the order parameter space is nearly isotropic, and the limiting degree of the distribution anisotropy was found. For a higher anisotropy in the distribution of local axes directions, the long-range order in the system holds true even in the presence of impurities of the given type.

The unusual behavior of the low-frequency (10 Hz–1 MHz) permittivity in single crystals of ferroelectric multiferroic TbMnO₃ has been experimentally and theoretically studied in detail in the region of the narrow temperature peak of the permittivity, associated with the ferroelectric phase transition (T_C ~ 27.4 K). It has been found that the ε_c^′(ω, T) maximum sharply decreases with increasing measured field frequency, while the temperature position of the maximum is independent of frequency. It has been shown that the observed features of the polarization response can be satisfactorily described within the Landau–Khalatnikov polarization relaxation theory.

The behavior of material constants in ferroelectric Ba_0.8Sr_0.2TiO₃ thin films is studied depending on the misfit strain at room temperature in the context of nonlinear thermodynamic potential of the phenomenological theory. Some constants are found to undergo drastic changes with the alternating strain at the interfaces. The gathered results allow one to evaluate the material constants for a specific film and to outline the direction in searching the ways to synthesize films with the needed properties.

Structurally different ZnSe ceramics prepared by various techniques were subjected to fallingweight impact fracture. Mechanoluminescence (ML) pulses generated during the motion and multiplication of dislocations were detected, as well as acoustic emission (AE) pulses produced predominantly during the growth of macroscopic (on the specimen scale) cracks. The luminescence began immediately at the moment of contact of a striker with the surface of the specimen, whereas the emission of sound occurred within 50–100 μs after the impact. The emission maxima in the ML and AE time series coincided with each other. The signal series were used to construct energy distributions upon the emission of light and the generation of sound. It was established that the ML amplitude (the number of emitted photons) is proportional to the energy released due to dislocation rearrangements, and the intensity (the square of the amplitude) of AE pulses is proportional to the energy released due to discontinuities of the material. It was found that the ML energy distribution follows a power law, which indicates the self-organization of an ensemble of dislocations during rapid plastic deformation. The AE energy distribution, on the contrary, was found to be random, i.e., typical of the growth of non-interacting cracks. It was shown that the efficiency of the interaction of dislocations depends, to a certain extent, on the technological prehistory of ZnSe ceramics.

The formation of silicon–carbon and silicon–oxygen complexes during cooling after the growth of dislocation-free silicon single crystals has been calculated using the Vlasov model of crystal formation. It has been confirmed that the complex formation begins in the vicinity of the crystallization front. It has been shown that the Vlasov model of a solid state can be used not only for the investigation of hypothetical ideal crystals, but also for the description of the formation of a defect structure of real crystals.

The photoluminescence properties of a composite material prepared by the introduction of the nanosized phosphor Zn₂SiO₄:Mn²⁺ into porous anodic alumina have been investigated. Scanning electron microscopy studies have revealed that Zn₂SiO₄:Mn²⁺ particles are uniformly distributed in 70% of the volume of the pore channels. The samples exhibit an intense luminescence in the range of 2.3–3.0 eV, which corresponds to the emission of different types of F centers in alumina. After the formation of Zn₂SiO₄:Mn²⁺ nanoparticles in the pores, an intense photoluminescence band is observed at 2.4 eV due to the ⁴T₁–⁶A₁ electronic transition within the 3d shell of the Mn²⁺ activator ion. It has been found that the maximum of the photoluminescence of Zn₂SiO₄:Mn²⁺ xerogel nanoparticles located in the porous matrix is shifted to higher energies, and the luminescence decay time decreases significantly.

It has been found that, in an aluminosilicate glass-ceramic sample cut from a massive ingot, there is a correlation of the residual stress with the temperature gradient. The magnitude and coordinate dependence of the stress along the temperature gradient have been determined from the stress-induced linear birefringence measured by the modulation polarimetry technique. Its functional relationship has been established in the form of the Poisson equation with the heterogeneity of the composition due to the preparation conditions. It has been shown that, in the absence of a temperature gradient, the birefringence and dichroism related by the Kramers–Kronig relation play the role of thermodynamic variables.

Influence of disorder in the form of frustration on the thermodynamic behavior of a two-dimensional three-vertex Potts model has been studied by the Monte Carlo method, taking into account the nearest and next-nearest neighbors. Systems with linear sizes of L × L = N (L = 9–48) on a triangular lattice have been considered. It has been shown that in the case of J₁ > 0 and J₂ < 0 frustrations appear in the spin system within the interval of 0.5 ≤ |r| ≤ 1.0. The model undergoes a phase transition outside this region.

Electronic, structural and bulk properties of scandium selenide, ScSe have been reported in the present paper. These properties have been studied using first principle calculations as well as the interionic potential model modified with covalency effect. The Gibbs free energy and enthalpy calculations show that present compound undergoes a structural phase transition from the NaCl-type structure to the CsCl-type structure. The stability of the present compound is discussed in terms of electronic band structure and density of states. The calculated equilibrium structural parameters are in a good agreement with the available experimental results.

Photoinduced spin current is calculated in a system consisting of a 1D quantum ring with conductors connected to it. It is shown that in the presence of Rashba’s spin–orbit interaction, a current is induced in the ring by circularly polarized radiation. Expressions are derived for the current and electron transmission coefficients taking into account the inelastic interaction with the radiation. It is shown that the spin current is a complex function of the magnetic flux through the ring, radiation frequency, and the spin–orbit coupling constant. In the presence of a potential difference, the interaction with radiation may considerably increase the efficiency of the quantum-ring-based spin filter.

Magnetic nanoparticles (MNPs) of Co_{1 + x}Ti_xFe_2–2xO₄ (0.2 < x < 0.5) ferrite spinel with an average diameter of ~12 nm in a SiO₂ shell are obtained by “wet” chemical synthesis and studied by X-ray diffraction, magnetic, and Mössbauer methods. Based on the data on the MNP released heat as a function of the applied external alternating magnetic field (EAMF) strength and frequency, the particle heating mechanisms are studied. The imaginary part of the magnetic susceptibility χ″ identical to the MNP heat release is analyzed at room temperature in an EAMF of strength 1 Oe and a frequency of 100 Hz. The χ″ maximum temperature decreases with increasing Ti content in CoTi spinel. An increase in the temperature by ~10 K was observed in an EAMF of frequency 10 kHz and a strength of 300 Oe. The temperature increase rate ΔT/dt was measured in the range from 0.001 to 0.008 K/s depending on the EAMF frequency and sample composition. It is found that Co_{1 + x}Ti_xFe_2–2xO₄ MNPs synthesized at 0.2 < x < 0.5 satisfy the requirements imposed on materials used as heat sources during magnetic hyperthermia. Based on measurements of the magnetic susceptibility in an EAMF and Mössbauer studies, it is shown that CoTi ferrite MNPs with a titanium ion content x = 0.3, i.e., Co_1.3Ti_0.3Fe_1.4O₄, are most efficient for magnetic hyperthermia.

New trisubstituted biphthalonitrile/magnetite (TSB/Fe₃O₄) magnetic hybrid microspheres were synthesized from TSB and FeCl₃ · 6H₂O using the method of one-stage thermal temperature crystallization of solvents. The morphology and structure of magnetic hybrid microspheres were inspected using a scanning electron microscope, IR Fourier spectroscopy, and X-ray diffraction. It was found that the grown TSB/Fe₃O₄ magnetic hybrid microspheres represent spherical particles with an average size of ~137 nm and a small size spread. The size and size distribution of magnetic hybrid microspheres can be controlled by a small change in the ratio of TSB and Fe³⁺ ion contents in the microsphere. TSB/Fe₃O₄ hybrid microspheres exhibit a rather high saturation magnetization (58.16 emu g^–1) and new microwave electromagnetic properties, i.e., lower (in comparison with published) dielectric losses at low frequencies; magnetic losses are increased obviously due to an increase in the TSB content. Furthermore, it is detected that magnetic hybrid microspheres absorb microwaves, and strong reflection losses in a wide frequency range are established. The effective reflection loss of–31 dB is obtained in the microwave range from 2 to 16 GHz due to TSB content variations. Wide absorption properties of microwaves along with regular spherical shape and excellent magnetic properties offer wide opportunities for various applications of TSB/Fe₃O₄ magnetic hybrid microspheres as functional materials.

Three-layer epitaxial heterostructures with a 750-nm-thick intermediate strontium titanate layer between two strontium ruthenate conductive thin-film electrodes have been grown by laser deposition. Photolithography and ion etching have been used to form film parallel-plate capacitors based on the grown heterostructures. The capacitance (C) and dielectric loss tangent (tanδ) of the parallel-plate capacitors have been measured in the temperature range T = 4.2–300 K at an applied bias voltage of up to ±2.5 V and without it. At T > 100 K, the temperature dependence of the dielectric permittivity (ε) of the SrTiO₃ intermediate layer is well approximated by the Curie–Weiss law taking into account the capacitance induced by the penetration of an electric field into the oxide electrodes. At T ≈ 20 K, the dielectric permittivity ε of the SrTiO₃ intermediate layer decreases by approximately 20% in an electric field of 25 kV/cm. The dielectric loss tangent of the film capacitor heterostructures decreases monotonically with a decrease in the temperature in the range from 300 to 80 K and almost does not depend on the electric field strength. However, in the range from 80 to 4.2 K, the dielectric loss tangent increases nonmonotonically (abruptly) with a decrease in the temperature and decreases significantly in an applied electric field.

The silicon intercalation under single-layer graphene formed on the surface of an epitaxial Co(0001) film was investigated. The experiments were performed under conditions of ultra-high vacuum. The thickness of silicon films was varied within the range of up to 1 nm, and the temperature of their annealing was 500°C. The characterization of the samples was carried out in situ by the methods of low-energy electron diffraction, high-energy-resolution photoelectron spectroscopy using synchrotron radiation, and magnetic linear dichroism in photoemission of Co 3p electrons. New data were obtained on the evolution of the atomic and electronic structure, as well as on the magnetic properties of the system with an increase in the amount of intercalated silicon. It was shown that the intercalation under a graphene layer is accompanied by the synthesis of surface silicide Co₂Si and a solid solution of silicon in cobalt.

A statistical analysis of the distribution of the tensile strength σ of ultra-oriented ultra-high-molecular-weight polyethylene (UHMWPE) film filaments has been performed in the framework of the Weibull model using the results obtained from a large number (50) of measurements. The UHMWPE film filaments have been produced by means of high-temperature multistage zone drawing of xerogels prepared from 1.5% UHMWPE solutions in decalin. The Weibull modulus has been determined for this type of materials. It has been shown that, for the ultimate draw ratio λ = 120, the average tensile strength is equal to 4.7 GPa, which is significantly higher than the tensile strength σ = 3.5 GPa for commercial gel-spun UHMWPE fibers manufactured by the DSM Company (The Netherlands) and the Honeywell International Incorporation (United States). It has been demonstrated that, for 20% of the specimens thus prepared, the tensile strength reaches record-high values σ = 5.2–5.9 GPa.

An analysis was performed for relations between the structural parameters and the properties of 36 carbon diamond-like phases consisting of atoms occupying crystallographically equivalent positions. It was found that the crystal lattices of these phases were in stressed states with respect to the cubic diamond lattice. The density of diamond-like phases, their sublimation energies, bulk moduli, hardnesses, and band gaps depend on the deformation parameters Def and Str. The most stable phases must be phases with minimal parameters Def and Str and also with ring parameter Rng that is most close to the corresponding parameter of cubic diamond. The structures and energy characteristics of fullerites, nanotube bundles, and graphene layers of which diamond-like phases can be obtained as a result of polymerization at high pressures have been calculated.