Electric-field-induced monoclinic phase in (Ba,Sr)TiO3_3 thin film

We have studied electric-field-induced symmetry lowering in the tetragonal (001)-oriented heteroepitaxial (Ba$_{0.8}$Sr$_{0.2}$)TiO$_3$ thin film deposited on (001)MgO substrate. Polarized micro-Raman spectra were recorded from the film area in between two planar electrodes deposited on the film surface. Presence of \textit{c}-domains with polarization normal to the substrate was confirmed from polarized Raman study under zero field, while splitting and hardening of the \textit{E}(TO) soft mode and polarization changes in the Raman spectra suggest monoclinic symmetry under external electric field

Exchange Interactions in a Dinuclear Manganese (II) Complex with Cyanopyridine-N-oxide Bridging Ligands

The structure and magnetic properties of oligonuclear manganese complex [Mn(hfa)2cpo]2 (where hfa is hexafluoroacetylacetonate dehydrate and cpo is 4-cyanopyridine-N-oxide) are presented. In the unit cell, the dinuclear molecules are well isolated from each other. The non-monotonous dependence of magnetic susceptibility is explained in terms of the hierarchy of exchange parameters by using exact diagonalization. The thermodynamic behavior of pure cpo and [Mn(hfa)2(cpo)]2 is simulated numerically in a dimer approximation by an extrapolation to spin S = 5/2. The Mn-Mn exchange integral is evaluated.Comment: Final corrected version, pdf, 12 page

The nature of the ferromagnetic ground state in the Mn4 molecular magnet

Using ab initio band structure and model calculations we studied magnetic properties of one of the Mn$_4$ molecular magnets (Mn4(hmp)6), where two types of the Mn ions exist: Mn3+ and Mn2+. The direct calculation of the exchange constants in the GGA+U approximation shows that in contrast to a common belief the strongest exchange coupling is not between two Mn3+ ions (J_{bb}), but along two out of four exchange paths connecting Mn3+ and Mn2+ ions (J_{wb}). The microscopic analysis performed within the perturbation theory allowed to establish the mechanism for this largest ferromagnetic exchange constant. The charge ordering of the Mn ions results in the situation when the energy of the excited state in the exchange process is defined not by the large on-site Coulomb repulsion U, but by much smaller energy V, which stabilizes the charge ordered state. Together with strong Hund's rule coupling and specific orbital order this leads to a large ferromagnetic exchange interaction for two out of four Mn2+ --Mn3+ pairs.Comment: 12 pages, 10 figure

Creating the image of scientist in university”s site with the help of personal datas

The article analyzes the problem of creating an image of the scientist in the virtual space, namely, the site of the University. It is concluded that the image of the scientist is formed with several formal characteristics.В статье анализируется проблема создания образа ученого в виртуальном пространстве, а именно, на сайте университета. Делается вывод о том, что образ ученого формируется с помощью нескольких формализованных признаков: должностьученая степень и ученое званиезанятость в сфере исследований, разработок, высшего образованияналичие публикацийучастие в организации и проведении научных мероприятийопыт научного руководства и организаторской деятельности в сфере науки и образования. Визуализация образа ученого осуществляется, чаще всего, с помощью личной фотографии. На способ подачи информации об ученом на сайте вуза оказывают влияние традиции, существующие в конкретном университете

The Development of Heat Substation for Drying Waste Heat Utilisation

The problem solution of waste heat utilization at the tobacco factory is considered in this work. The analysis of the possibility of waste heat utilization and appropriate calculations of plate heat exchangers were carried out. The method for multi component mixture condensation calculation is used. This allows obtaining optimal parameters for the working conditions of the heat exchangers according to the energy efficiency retrofit of industrial enterprises. The design of heat substation for waste heat utilisation was developed

The distant galaxy cluster CL0016+16: X-ray analysis up to R200R_{200}

To study the mass distribution of galaxy clusters up to their Virial radius, CL0016+16 seems to be a good candidate,since it is a bright massive cluster, previously considered as being dynamically relaxed. Using XMM-Newton observations of CL0016+16, we performed a careful X-ray background analysis, and we detected convincingly its X-ray emission up to $R_{200}$. We then studied its dynamical state with a detailed 2D temperature and surface brightness analysis of the inner part of the cluster. Using the assumption of both spherical symmetry and hydrostatic equilibrium (HE) we can determine the main cluster parameters: total mass, temperature profile, surface brightness profile and $\beta$-parameter. We also build a temperature map which clearly exhibits departure from spherical symmetry in the centre. To estimate the influence of these perturbations onto our total mass estimate, we also compute the total mass in the framework of the HE approach, but this time with various temperature profiles obtained in different directions. These various total mass estimates are consistent with each other. The temperature perturbations are clear signatures of ongoing merger activity. We also find significant residuals after subtracting the emissivity map by a 2D $\beta$-model fit. We conclude that, although CL0016+16 shows clear signs of merger activity and departure from spherical symmetry in the centre, its X-ray emissivity can be detected up to $R_{200}$ and the corresponding mass $M_{200}$ can be computed directly. It is therefore a good candidate to study cosmological scaling laws as predicted by the theory.Comment: 11 pages, 17 figures, Accepted for publication in A&

Exchange Effects in the Invar Hardening: Fe0.65Ni0.35Fe_{0.65}Ni_{0.35} as a test case

An increase of the critical resolved shear stress of Invar alloys (Invar hardening) with a lowering temperature is explained. The effect is caused by a growth of the exchange interaction between dangling $d$-electron states of dislocation cores and paramagnetic obstacles (e.g., Ni atoms in FeNi alloys) which occurs below the Curie temperature. The spins of the two electrons align along the magnetization due to the exchange interaction with the surrounding atoms of the ferromagnetic. The exchange interaction between the dislocations and obstacles is enhanced in Invars due to a strong growth of the magnetic moments of atoms under the action of elastic strains near the dislocation cores. Parameters characterizing the exchange interaction are determined for the case of the Fe$_{0.65}$Ni$_{0.35}$ Invar. The influence of the internal magnetic field on the dislocation detachment from the obstacles is taken into account. The obtained temperature dependence of the critical resolved shear stress in the Fe$_{0.65}$Ni$_{0.35}$ Invar agrees well with the available experimental data. Experiments facilitating a further check of the theoretical model are suggested.Comment: 8 pages, 2 figure

Evolution of the spectrum and the metal-insulator transition in local approximations for many-electron models

In the framework of the many-electron s-d exchange model and Hubbard model, self-consistent equations are derived for the one-particle retarded Green's function in the many-electron Hubbard X-operator representation. We analyze the general structure of the single-site approximations and their connection with the coherent potential approximation (CPA) and dynamic effective field theory (DMFT). Using the self-consistent approximation, we examine in detail the picture of the evolution of the electron spectrum with the model parameters (coupling constants, the concentration of charge carriers). The influence of various factors (Kondo many-electron scattering, smearing due to damping, dynamics of localized moment subsystem) on the shape of the density of states N(E) in the interacting system is investigated. It is shown that the use of the locator representation allows to avoid in some cases the non-analyticity in approximate expressions for the Green's functions. Our approach enables one to reproduce, at certain values of the parameters, three-peak structure of N(E) near the metal-insulator transition.Comment: 26 pages, in Russian, Physics of Metals and Metallography, accepte

Modeling the actinides with disordered local moments

A first-principles disordered local moment (DLM) picture within the local-spin-density and coherent potential approximations (LSDA+CPA) of the actinides is presented. The parameter free theory gives an accurate description of bond lengths and bulk modulus. The case of $\delta$-Pu is studied in particular and the calculated density of states is compared to data from photo-electron spectroscopy. The relation between the DLM description, the dynamical mean field approach and spin-polarized magnetically ordered modeling is discussed.Comment: 6 pages, 4 figure