卷 58, 编号 7 (2016)

A technique for the evaluation of the electron work function of metallic single crystals and the electron work function anisotropy has been developed in the framework of the electron-statistical method. The surface energy and the electron work function have been calculated for crystal faces of allotropic modifications of 4d- and 5d-metals. A change in the electron work function due to the allotropic transformations has been estimated, and the periodic dependence of the electron work function has been determined. It has been shown that the results obtained using the proposed technique correlate with the available experimental data for polycrystals.

The current density in a superlattice exposed to a quantizing electric field and the terahertz field has been calculated. The calculations have been carried out taking into account inelastic scattering of charge carriers by phonons. The possibility of an absolute negative conductivity, i.e., the emergence of electric current opposing the direction of the quantizing electric field, has been demonstrated.

Two-phase composites xLa_0.7Sr_0.3MnO₃/(100–x)C (x = 5–85 mass %) have been synthesized. The magnetoresistive properties of these materials in magnetic fields from 0 to 15 kOe have been investigated. It has been shown that, at room temperature, the positive isotropic magnetoresistance for samples with x = 50–60 mass % reaches 15%.

In ensembles of annealed ferrimagnetic alloy (DyPr)–(CoFe)–B microparticles in the free state and fixed in polymer, the coercivity differs more than by an order of magnitude. The contributions of orientation locking of magnetic axes of particles and the dipole magnetic interaction between particles to the coercivity and saturation magnetization field of an ensemble are discussed. In ensembles of unannealed microparticles, the effect of their locking and dispersing in polymer is significantly weaker.

The influence of spin fluctuations on the magnetic properties of the ferromagnetic helimagnet MnSi has been studied in the Hubbard model taking into account the antisymmetric relativistic Dzyaloshinskii–Moriya interaction for band electrons. The obtained equations of the magnetic state indicate the correlation between the fine structure of the density of electronic states and the magnetization and coefficient of mode–mode coupling. It has been shown that the position of the Fermi energy in the immediate proximity on the point of the local minimum of the density of electronic states leads to large zero spin fluctuations at low magnetization of the helimagnet. When approaching from down the Néel point (approximately, at 0.9T_N), the zero fluctuation disappear, and the temperature rise of thermal spin fluctuation is accompanied by the change in the sign of the coefficient of mode–mode coupling. A magnetic field perpendicular to the helicoids plane brings about the formation and subsequent “collapse” of the helimagnetic cone. However, the condition of the change in the sign of the coefficient of mode–mode coupling divides the MnSi phase diagram into two parts, one of which corresponds to the ferromagnetic state induced by the field, and the other corresponding to the paramagnetic state. In this case, the h–T diagram has a specific region, inside which the paramagnetic and the ferromagnetic state are instable. The boundaries of the region agree with the experimental data on the boundaries of the anomalous phase (a phase). It has been found that the results of calculations of the temperature dependence of the magnetic susceptibility agree with the experimental data.

It has been experimentally shown that a longitudinal thermal-diffusion autosoliton, which is generated in a nonequilibrium electron–hole plasma in p-InSb, in an external longitudinal magnetic field acquires diamagnetic properties. The results of the calculation and numerical estimates of the diamagnetism have been presented.

The Potts model of a diluted magnet with an arbitrary number of states placed in the external field has been considered. Phase transitions of this model have been studied in the mean-field approximation, the dependence of the critical temperature on the external field and the density of magnetic atoms has been found, and the magnetic susceptibility has been calculated. An improved mean-field technique has been proposed, which provides more accurate account of the effects associated with nonmagnetic dilution. The influence of dilution on the first-order phase transition curve and the magnetization jump at the phase transition has been studied by this technique.

The properties of Na_xLi_1–xFeGe₂O₆ (x = 0.1–0.9) solid solutions obtained via a solid-phase synthesis have been measured by X-ray diffraction, calorimetry, and magnetic method. The order–disorder transformations in low-dimensional Na_xLi_1–xFeGe₂O₆ (x = 0.1–0.9) spin systems with predominately antiferromagnetic exchange interaction have been revealed in the low-temperature susceptibility dependences. The study of thermal and physical properties has confirmed that substituting the sodium ions with the lithium ones induces the first-order structural phase transitions of the displacement type which are characterized by a symmetry change in monoclinic crystals from high-temperature C2/c space group to low-temperature P2₁/c space group.

The micromagnetic structure of the domain wall (DW) with periodically distributed horizontal Bloch lines in a ferromagnetic film in an external electric field has been studied. The effect of the electric field on the internal DW micromagnetic structure is caused by inhomogeneous magnetoelectric coupling. Possible scenarios of the DW internal structure transformations implemented with varying the electric fields strength have been analyzed in detail. For each scenario, static characteristics of the system, such as the energy, DW profile, DW effective thickness, and electric polarization have been calculated.

It has been shown that the number of high-intensity spin-wave modes in the spin-wave resonance spectrum of films with a uniform gradient of the effective anisotropy field depends on the thickness of the film and on the exchange stiffness. It has been established that there is a “critical” thickness of the film which depends on the exchange stiffness and the anisotropy field gradient. When the thickness of the film is less than the “critical” value, only one high-intensity mode is excited in the resonance absorption spectrum.

Thin films of partially deuterated betaine phosphate have been grown by the evaporation on Al₂O₃(110) and NdGaO₃(001) substrates with a preliminarily deposited structure of interdigitated electrodes. The grown films have a polycrystalline block structure with characteristic dimensions of blocks of the order of 0.1–1.5 mm. The degree of deuteration of the films D varies in the range of 20–50%. It has been found that, at the antiferroelectric phase transition temperature T_c^afe = 100–114 K, the fabricated structures exhibit an anomaly of the electrical capacitance C, which is not accompanied by a change in the dielectric loss tangent tanδ. The strong-signal dielectric response is characterized by the appearance of a ferroelectric nonlinearity at temperatures T >T_c^afe, which is transformed into an antiferroelectric nonlinearity at T <T_c^afe. With a further decrease in the temperature, double dielectric hysteresis loops appear in the antiferroelectric phase. The dielectric properties of the films have been described within the framework of the Landau-type thermodynamic model taking into account the biquadratic coupling ξP²η² between the polar order parameter P and the nonpolar order parameter η with a positive coefficient ξ. The E–T phase diagram has been constructed.

Regular chemisorption of hydrogen on achiral single-walled carbon nanotubes has been investigated with the use of AM1 quantum-chemical semiempirical method. It has been found that regular hydrogen chemisorption deforms nanotubes, in some cases leading to stable prismatic modifications. The dependence of the adsorption energy on the density of hydrogen coverage has been found. A procedure for determining the adsorption energy by the spectra of thermally stimulated desorption has been proposed.

Photonic structures with hexagonal symmetry have been prepared by the additive technology of two-photon laser lithography, and their optical properties have been investigated. The structure of the samples has been examined using scanning electron microscopy. The calculations have been performed for the optical diffraction in the Born approximation of the scattering theory for structures with a limited number of scatterers. The images formed in the monochromatic light on a flat screen located behind the sample have been calculated. The diffraction patterns on the screen have C_6v symmetry and consist of three straight lines intersecting at an angle of 120° and hyperbolas, the number of which is a multiple of six. An important feature of these diffraction patterns is the superstructure, i.e., the partition of straight lines and hyperbolas into individual diffraction reflections, the number of which is determined by the number of scatterers of a particular sample. The results of the experimental investigation of the diffraction patterns completely coincide with the calculated data, including the number and arrangement of the superstructure reflections.

Based on the free energy density functional method, the early stage of decomposition of a onedimensional binary alloy corresponding to the approximation of regular solutions has been simulated. In the simulation, Gaussian composition fluctuations caused by the initial alloy state are taken into account. The calculation is performed using the block approach implying discretization of the extensive solution volume into independent fragments for each of which the decomposition process is calculated, and then a joint analysis of the formed second phase segregations is performed. It was possible to trace all stages of solid solution decomposition: nucleation, growth, and coalescence (initial stage). The time dependences of the main phase distribution characteristics are calculated: the average size and concentration of the second phase particles, their size distribution function, and the nucleation rate of the second phase particles (clusters). Cluster trajectories in the size–composition space are constructed for the cases of growth and dissolution.

The phonon spectra in thin layers of bismuth telluride and solid solutions of Bi_2–xSb_xTe_3–ySe_y of different composition, belonging to three-dimensional topological insulators, have been investigated by micro-Raman spectroscopy, and the morphology of an interlayer van der Waals (0001) surface in them has been studied by semicontact atomic force microscopy at room temperature. The analysis of the Raman spectra and the intensity ratio of active and inactive longitudinal optical modes depending on the composition, morphology of the interlayer surface, and thickness of the layers enabled the estimation of the effect of topological surface states of Dirac fermions, associated with the strengthening of the electron–phonon interaction as a result of resonance Raman scattering, and the identification of the compositions, in which the contribution of topological surface states becomes dominant.

The recrystallization of the structure of an X-ray amorphous AlN–TiB₂–TiSi₂ coating containing short-range order regions with characteristic sizes of 0.8–1.0 nm has been performed using a negative gold ion (Au^–) beam and high-temperature annealing. Direct measurements using methods of high-resolution transmission electron microscopy (HRTEM) and energy-dispersive X-ray spectral (EDXS) microanalysis have demonstrated that thermal annealing at a temperature of 1300°C in air results in the formation of nanoscale (10–15 nm) phases AlN, AlB₂, Al₃O₃, and TiO₂, whereas the ion implantation of negative ions Au^– leads to a fragmentation (decrease in the size) of nanograins to 2–5 nm with the formation of spheroidal gold nanocrystallites a few nanometers in size, as well as to the formation of an amorphous oxide film in the depth (near-surface layer) of the coating due to ballistic ion mixing and collision cascades.

Intercalation of graphene on Ir (111) with Sm atoms is studied by methods of thermal desorption spectroscopy and thermionic emission. It is shown that adsorption of samarium at T = 300 K on graphene to concentrations of N ≤ 6 × 10¹⁴ atoms cm^–2 followed by heating of the substrate leads to practically complete escape of adsorbate underneath the graphene layer. At N > 6 × 10¹⁴ atoms cm^–2 and increasing temperature, a fraction of adsorbate remains on graphene in the form of two-dimensional “gas” and samarium islands and are desorbed in the range of temperatures of 1000–1200 K. Samarium remaining under the graphene is desorbed from the surface in the temperature range 1200–2150 K. Model conceptions for the samarium–graphene–iridium system in a wide temperature range are developed.

A dynamic model has been proposed for describing the extrusion of a single layer of a liquid-crystal (LC) material into a meniscus from an N-layer circular free-standing smectic film (FSSF). In the framework of this model, the main mechanism responsible for the process of the thinning (extrusion) of the LC material from the N-layer FSSF is based on the appearance of a spatial pressure gradient directed along the radius of the circular FSSF. This gradient is formed due to the difference in the disjoining pressures on both sides of the front separating the N- and (N–1)-layer domains of the smectic film. The proposed model allows taking into account the influence of the meniscus on dynamic characteristics, such as the time required for the complete extrusion of a single layer from the N-layer FSSF and the velocity of propagation of the front separating the N- and (N–1)-layer domains in the process of the thinning of the smectic film formed by molecules of 5-n-alkyl-2-(4-n-(perfluoroalkyl-methyleneoxy))pentyl.

We perform detailed calculations for the interaction of molecular hydrogen with C₂₀isomers in the framework of density functional theory method. The adsorption of H₂ outside the C₂₀-e isomer with parallel orientation with respect to the plane of the hexagon is found to be the most stable adsorption configuration. Thus this might have potential for the hydrogen storing. We have also investigated the number and the position of adsorption sites in the pentagon for the parallel configurations of the H₂/C₂₀ systems. We find two stable configurations of the molecule for the C₂₀-bowl isomer that have a small difference in energy. Thus, surprisingly, despite their apparent simplicity these H₂/C₂₀-bowl systems are shown to exhibit the flip-flop motion by a small current pulse. Hence, it might be a candidate for multi-states monomolecular device. Convenient experimental techniques such as field emission microscopy are proposed to test these predictions.

The graphene growth by thermal decomposition of silicon carbide at the temperature of ~1400°C in a high vacuum of ~10^–6 Torr has been optimized. By Raman spectroscopy, the mean thickness of obtained graphene (2–4 single layers) has been estimated and the presence of high-quality graphene areas in the samples has been demonstrated. It has been found out that the four-point resistance of graphene increases in the region of its interface with water approximately by 25%. For the graphene–water interface in the transistor geometry, with variation in the gate-to-source voltage, the field effect corresponding to the hole type of charge carries in graphene has been revealed.

Phenomenological description of bulk diffusion in oxide ceramics has been proposed. Variants of vacancy and vacancy-free diffusion models have been considered. In the vacancy models, ion migration is described as a fluctuation with the formation of a “liquid corridor,” along which the diffusion ion transport in a “melt” is performed, or, as a fluctuation with the formation of an “empty corridor,” in which the ion motion proceeds without activation. The vacancy-free model considers a fluctuation with the formation of a spherical liquid region whose sizes correspond to the first coordination sphere. It has been shown that both the vacancy models work in cubic metal oxides and the vacancy-free model is effective for describing diffusion in oxides having a noncubic structure. Detailed comparison of the models developed has been performed. It has been shown that the values of the activation energies for diffusion of metal and oxygen ions agree with the published data on bulk diffusion in stoichiometric oxide ceramics.