First principles simulations of 2D Cu superlattices on the MgO(001) surface

First principles slab simulations of copper 2D superlattices of different densities on the perfect MgO(0 0 1) surface are performed using the DFT method as implemented into the CRYSTAL98 computer code. In order to clarify the nature of interfacial bonding, we consider regular 1/4, 1/2 and I monolayer (ML) coverages and compare results of our calculations with various experimental and theoretical data. Our general conclusion is that the physical adhesion associated with a Cu polarization and charge redistribution gives the predominant contribution to the bonding of the regular Cu 2D layer on the MgO(0 0 1) surface. (C) 2003 Elsevier B.V. All rights reserved

The kinetic MC modelling of reversible pattern formation in initial stages of thin metallic film growth on crystalline substrates

The results of kinetic MC simulations of the reversible pattern formation during the adsorption of mobile metal atoms on crystalline substrates are discussed. Pattern formation, simulated for submonolayer metal coverage, is characterized in terms of the joint correlation functions for a spatial distribution of adsorbed atoms. A wide range of situations, from the almost irreversible to strongly reversible regimes, is simulated. We demonstrate that the patterns obtained are defined by a key dimensionless parameter: the ratio of the mutual attraction energy between atoms to the substrate temperature. Our ab initio calculations for the nearest Ag-Ag adsorbate atom interaction on an MgO substrate give an attraction energy as large as 1.6 eV, close to that in a free molecule. This is in contrast to the small Ag adhesion and migration energies (0.23 and 0.05 eV, respectively) on a defect-free MgO substrate. (C) 2003 Elsevier Science Ltd. All rights reserved

Oxygen-ionic conductors based on substituted bismuth molybdates with column-type structural fragments

The possibility of synthesizing oxygen-ionic conductors from substituted bismuth molybdates containing [Bi12O14] n 8n+ columns, MoO4 tetrahedra, and isolated Bi ions in their structure was studied. The specifics of their structure and electric conductivity were investigated. The general formula of the solid solutions can be recorded as Bi13Mo5 - x Me x O 34 - δ, where Me is the fouror five-valent d metal (Ti, Zr, V, Nb). The electric conductivity of doped bismuth molybdates considerably increased compared with that of the matrix compound. The electric conductivity reached 5.5 × 10-3 S cm-1 at 700 C and 1.8 × 10-4 S cm-1 at 350 C for the zirconium-doped compound with x = 0.4. The porosity of the ceramics was less than 5%; the thermal expansion coefficient was of the order of 14 × 10-6 K-1. Based on the set of their characteristics, these compounds are recommended as materials for membranes of electrochemical devices. © 2013 Pleiades Publishing, Ltd

Chiral phase transitions in strong chromomagnetic fields at finite temperature and dimensional reduction

Dynamical fermion mass generation in external chromomagnetic fields is considered at non--zero temperature. The general features of dynamical chiral symmetry breaking ($D\chi SB$) are investigated for several field configurations in relation to their symmetry properties and the form of the quark spectrum. According to the fields, there arises dimensional reduction by one or two units. In all cases there exists $D\chi SB$ even at weak quark attraction, confirming the idea about the dimensional insensitivity of this mechanism in a chromomagnetic field.Comment: LATEX file, 12 pages, no figure

Structure and electrical conductivity of cobalt-doped Bi 26Mo10O69

The existence boundaries, structures, and transport parameters of Bi 1 - x Co x [Bi12O14]Mo 5O20 ± δ and Bi[Bi12O 14]Mo5 - y Co y O20 ± δ solid solutions, which have a unique columnar structure, were studied. Electrical conductivity in these solid solutions was studied by impedance spectroscopy. © 2013 Pleiades Publishing, Ltd

Structural and transport characteristics of substituted bismuth niobates

The results of studying solid solutions with the composition of Bi 3Nb1 - y Zr y O7 ± δ, Bi2.95Y0.05Nb1 - y Zr y O 7 ± δ (y = 0-0.5; Δy = 0.1), and Bi 6.95Y0.05Nb2 - y Zr y O 15.5 (y = 0.1-1; Δy = 0.1) are presented. XRD and electron microscopy with X-ray microanalysis are used to determine the homogeneity regions of solid solutions; crystallochemical parameters are calculated. It is shown that irrespective of the ratio of Bi: Nb, two cubic phases are formed at an increase in the dopant amount. One of these represents a solid solution based on Bi3NbO7 (δ-phase) and the second one is a solid solution based on δ-Bi2O3 (δ′-phase). Conductivity of sintered samples is studied using the impedance spectroscopy technique. Introduction of yttrium into the bismuth sublattice results in no increase in conductivity of solid solutions, while in the case of the ratio of Bi: Nb = 3: 1, overall conductivity of solid solutions is somewhat higher at similar dopant concentrations. © 2013 Pleiades Publishing, Ltd

Synthesis, structure, and conductivity of BINBVOX ceramics

The preparation and the structure and transport characteristics of Bi 4V2 - x Nb x O11 (BINBVOX) were studied. A comparative analysis of the synthesis of solid solutions was performed. The sintering of ceramics and the electrical conductivity as a function of temperature, composition and partial oxygen pressure were studied. © 2013 Pleiades Publishing, Ltd

Theory of the growth mode for a thin metallic film on an insulating substrate

We have developed a novel theory predicting the growth mode of a thin metallic film on an insulating substrate. This combines ab initio electronic structure calculations for several ordered metal/insulator interfaces (varying both coverage and substrate lattice constant). with a thermodynamic approach based on microscopic calculations. We illustrate this approach for Ag film deposited on MgO(00 1) substrate. Ab initio calculations predict high mobility of adsorbed silver atoms on the perfect magnesia surface even at low temperatures, Our theoretical analysis clearly demonstrates that the growth of metallic islands is predominant at the initial stage of silver deposition, which agrees with the experimental data. (C) 2001 Published by Elsevier Science B.V

Neutrino magnetic moment in a magnetized plasma

The contribution of a magnetized plasma to the neutrino magnetic moment is calculated. It is shown that only part of the additional neutrino energy in magnetized plasma connecting with its spin and magnetic field strength defines the neutrino magnetic moment. It is found that the presence of magnetized plasma does not lead to the considerable increase of the neutrino magnetic moment in contrast to the results presented in literature previously.Comment: 7 page, 1 figures, based on the talk presented by E.N.Narynskaya at the XVI International Seminar Quarks'2010, Kolomna, Moscow Region, June 6-12, 2010, to appear in the Proceeding