Electronic structure of disordered titanium monoxide TiO<Subscript><Emphasis Type="Italic">y</Emphasis></Subscript> depending on stoichiometry

The electronic structure of disordered nonstoichiometric titanium monoxide TiO _y depending on the oxygen content has been studied by the supercell method in the DFT-GGA approximation with the use of pseudo-potentials. An increase in the oxygen content in TiO _y leads to a decrease in the electron density of states near the Fermi level. The calculation of the enthalpy of formation of the ordered and disordered phases has shown that the disordered phase TiO _y is more energetically favorable than the phase without the TiO structural vacancies but is less favorable than the ordered Ti₅O₅ phase. The stability of the disordered phase increases with the oxygen content.     

Short-range order and nonstoichiometry in titanium monoxide TiO<Subscript><Emphasis Type="Italic">y</Emphasis></Subscript> from DFT calculations

Structural models of short-range order in the arrangement of structural vacancies have been proposed for stoichiometric and nonstoichiometric compositions of titanium monoxide TiO _y . A combined effect of the short-range order and nonstoichiometry on the ground-state energy and the electronic structure of the compound has been investigated using the first-principles methods. The energetically favorable models of short-range order reproduce the local distribution of atoms and vacancies, which is characteristic of the Ti₅O_5(mon) and Ti₅O_5(cub) superstructures. In these models, the correlations between the vacancies of the metal sublattice and the vacancies of the nonmetal sublattice make a more significant contribution to the decrease in the energy of the compound as compared with the correlations between the vacancies in only one of the sublattices.     

Disintegration of a coarse-grained vanadium monoxide VO<Subscript><Emphasis Type="Italic">y</Emphasis></Subscript> powder

A coarse-grained powder of nonstoichiometric cubic vanadium monoxide VO _y is disintegrated in a Retch PM 200 planetary ball mill. Milling of the coarse-grained vanadium monoxide powder VO _y at a rate of rotation of 500 rpm for 2 h significantly broadens diffraction lines, and the crystal structure of vanadium monoxide VO_1.00 after milling remains the same. High-resolution scanning electron microscopy and X-ray diffraction studies of the microstructure of vanadium monoxide demonstrate that high-energy milling can produce vanadium monoxide powders with an average crystallite size of 23 ± 10 nm. The vanadium monoxide produced by milling has a crystallite size that is half the crystallite size in the titanium monoxide produced by severe plastic deformation.     

Formation energy and geometry of vacancies at BN and B<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>C<Subscript><Emphasis Type="Italic">y</Emphasis></Subscript>N<Subscript><Emphasis Type="Italic">z</Emphasis></Subscript> nanocones

We have studied, through ab initio calculations, the stability of 60° and 120° boron nitride nanocones containing mono and multiple boron, nitrogen, and carbon vacancies. The stability of the vacancies as well as the structures reconstruction mechanism have been investigated. Our results indicate that the stability of the cones presenting such vacancies strongly depends on growth conditions. We have also found that multiple vacancies display formation energies that are comparable, and in some cases, even lower to the ones presented by monovacancies. Therefore, our results allow us to conclude that the formation energy does not depend on the vacancy size. Finally, for 120° cones, we can verify that the stability of the boron and nitrogen vacancies depends on the position where the atom has been removed.     

<Emphasis Type="Italic">SU</Emphasis>(3)-Instantons and <Emphasis Type="Italic">G</Emphasis><Subscript>2</Subscript>,<Emphasis Type="Italic">Spin</Emphasis>(7)-Heterotic String Solitons

Necessary and sufficient conditions to the existence of a hermitian connection with totally skew-symmetric torsion and holonomy contained in SU(3) are given. A formula for the Riemannian scalar curvature is obtained. Non-compact solution to the supergravity-type I equations of motion with non-zero flux and non-constant dilaton is found in dimension 6. Non-conformally flat non-compact solutions to the supergravity-type I equations of motion with non-zero flux and non-constant dilaton are found in dimensions 7 and 8. A Riemannian metric with holonomy contained in G₂ arises from our considerations and Hitchin’s flow equations, which seems to be new. Compact examples of SU(3),G₂ and Spin(7) instanton satisfying the anomaly cancellation conditions are presented.     

Enhanced ionic conductivity in nano-composite solid polymer electrolyte: (PEG)<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript> LiBr: <Emphasis Type="Italic">y</Emphasis>(SiO<Subscript>2</Subscript>)

In this paper, we report an enhancement in ionic conductivity in a new nano-composite solid polymer electrolyte namely, (PEG) _x LiBr: y(SiO₂). The samples were prepared, characterized, and investigated by XRD, IR, NMR, and impedance spectroscopy. Conductivity as a function of salt concentration shows a double peak. Five weight percent addition of silica nanoparticles increases the ionic conductivity by two orders of magnitude. Conductivity exhibits an Arrhenius type dependence on temperature. IR study has shown that the existence of nanoparticles in the vicinity of terminal O―H group results in a shift in IR absorption frequency and increase in amplitude of vibration of the terminal O―H group. This might lead to an enhancement in conductivity due to increased segmental motion of the polymer. ⁷Li NMR spectroscopic studies also seem to support this. Thus addition of nanoparticle inert fillers still seems to be a promising technique to enhance the ionic conductivity in solid polymer electrolytes.     

Fermion Localization on the <Emphasis Type="Italic">orbifold</Emphasis><Emphasis Type="Italic">S</Emphasis><Subscript>1</Subscript>/<Emphasis Type="Italic">Z</Emphasis><Subscript>2</Subscript>

The hierarchical structure of fermion masses of the Standard Model is explained in split fermion models by localizing the fermions at different points in an extra dimension. We consider split fermion models with two bulk scalars compactified on an orbifold. In the static case we find analytical expression for the localizer. We also address the issue of stability of the localizer. We also find exact solutions for the fermion zero modes. We explore the parameter space of the model. We find ample opportunity for construction of phenomenologically viable theories exist.     

Spectral Action on <Emphasis Type="Italic">SU</Emphasis><Subscript><Emphasis Type="Italic">q</Emphasis></Subscript>(2)

The spectral action on the equivariant real spectral triple over is computed explicitly. Properties of the differential calculus arising from the Dirac operator are studied and the results are compared to the commutative case of the sphere . UMR 6207, – Unité Mixte de Recherche du CNRS et des Universités Aix-Marseille I, Aix-Marseille II et de l’Université du Sud Toulon-Var, Laboratoire affilié à la FRUMAM – FR 2291. Partially supported by Polish Government grants 189/6.PRUE/2007/7; 115/E-343/SPB/6.PR UE/DIE and N 201 1770 33.     

The Dirac Operator on <Emphasis Type="Italic">SU</Emphasis><Subscript><Emphasis Type="Italic">q</Emphasis></Subscript>(2)

We construct a 3⁺-summable spectral triple over the quantum group SU_q(2) which is equivariant with respect to a left and a right action of The geometry is isospectral to the classical case since the spectrum of the operator D is the same as that of the usual Dirac operator on the 3-dimensional round sphere. The presence of an equivariant real structure J demands a modification in the axiomatic framework of spectral geometry, whereby the commutant and first-order properties need be satisfied only modulo infinitesimals of arbitrary high order.Partially supported by Polish State Committee for Scientific Research (KBN) under grant 2 P03B 022 25.Regular Associate of the Abdus Salam ICTP, Trieste.     

Mechanical and Dynamic Stability of Complete and Nonstoichiometric 3<Emphasis Type="Italic">C</Emphasis>-Si<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>C<Subscript><Emphasis Type="Italic">y</Emphasis></Subscript> from Ab Initio Calculations

The energies of formation of vacancies in the carbon and silicon sublattices, the independent elastic constants, the all-round compression, shear and Young’s moduli, and the anisotropy coefficients are determined for the complete and nonstoichiometric cubic phases of 3C-Si_xC_y (x, y = 1.0–0.75) by ab initio methods of the band theory. In the formalism of the density functional perturbation theory (DFPT), the phonon dispersion dependences are obtained for these phases (the comparison with the experiment is given for the complete phase). It is shown that the mechanical characteristics of the phases become strongly anisotropic upon the transition from 3C-SiC_0.875 to 3C-SiC_0.75. It is established from the analysis of the phonon dispersion curves that the 3C-SiC_0.875 and 3C-SiC_0.75 phases, in contrast to the complete 3C-SiC phase, are dynamically unstable at T = 0 K.     

Dependence of Van-Vleck paramagnetism on the size of nanocrystals in superstoichiometric TiO<Subscript> <Emphasis Type="Italic">y</Emphasis> </Subscript>

In situ measurements of the magnetic susceptibility of titanium monoxide nanocrystals with superstoichiometric composition TiO_y (y > 1) in the 300–1200 K temperature range showed that this value depends not only on the structural state of a sample, but also on the size of crystals. Analysis of data obtained for both ordered and disordered TiO_y showed that the Van-Vleck paramagnetism is inversely proportional to the nanocrystal size because of breakage of the symmetry of local environment of the near-surface atoms of titanium and oxygen. The Van-Vleck paramagnetism contribution due to atomic-vacancy disorder in superstoichiometric titanium monoxide nanocrystals, as well as in the stoichiometric composition, is proportional to a deviation of the degree of long-range order from its maximum value.     

Investigation of elastic moduli and constants of zinc-blende Al<Subscript><Emphasis Type="Italic">y</Emphasis></Subscript>Ga<Subscript>1-<Emphasis Type="Italic">y</Emphasis></Subscript>As alloy by statistical moment method

The elastic moduli and elastic constants of the ternary semiconductor alloy Al _y Ga_1-yAs at finite temperature have been investigated using the statistical moment method. The Young, shear, bulk moduli and elastic constants C₁₁, C₁₂, C₄₄ of the zinc-blende Al _y Ga_1?yAs crystal are calculated as functions of Al composition and temperature. Numerical calculations have been performed and compared with those of the experimental and other theoretical results showing the reasonable agreements. Our study shows that elastic moduli and C₁₁, C₁₂ constants of zinc-blende Al _y Ga_1?yAs alloy are decreasing functions of the temperature and Al composition; C₄₄ constant is a decreasing function of the Al composition.     

Interacting Dark Energy in the Dark <Emphasis Type="Italic">S</Emphasis><Emphasis Type="Italic">U</Emphasis>(2)<Subscript><Emphasis Type="Italic">R</Emphasis></Subscript> Model

We explore the cosmological implications of the interactions among the dark particles in the dark SU(2) _R model. It turns out that the relevant interaction is between dark energy and dark matter, through a decay process. With respect to the standard ΛCDM model, it changes only the background equations. We note that the observational aspects of the model are dominated by degeneracies between the parameters that describe the process. Thus, only the usual Λ CDM parameters such as the Hubble expansion rate and the dark energy density parameter (interpreted as the combination of the densities of the dark energy doublet) could be constrained by observations at this moment.     

Effect of carbon vacancies on the electric resistivity of nonstoichiometric VC<Subscript><Emphasis Type="Italic">y</Emphasis></Subscript> vanadium carbide

The influence of the temperature, concentration, and distribution of structure vacancies of the carbon sublattice on the electric resistivity ρ of nonstoichiometric VC _y vanadium carbide (0.66 ≤ y ≤ 0.875) has been studied in the temperature range of 300–1200 K. The symmetry and structure characteristics of the ordered V₆C₅ and V₈C₇ phases formed owing to low-temperature annealing on various sections of the homogeneity region of the VC _y carbide. The dependence of the residual electric resistivity on the content of the disordered vanadium carbide is explained by the atom-vacancy interaction and the change in the carrier concentration in the homogeneity region of VC _y .     

Non-vacuum Bianchi types <Emphasis Type="Italic">I</Emphasis> and <Emphasis Type="Italic">V</Emphasis> in <Emphasis Type="Italic">f</Emphasis> (<Emphasis Type="Italic">R</Emphasis>) gravity

In a recent paper (Sharif and Shamir in Class. Quantum Grav. 26:235020, 2009), we have studied the vacuum solutions of Bianchi types I and V spacetimes in the framework of metric f (R) gravity. Here we extend this work to perfect fluid solutions. For this purpose, we take stiff matter to find energy density and pressure of the universe. In particular, we find two exact solutions in each case which correspond to two models of the universe. The first solution gives a singular model while the second solution provides a non-singular model. The physical behavior of these models has been discussed using some physical quantities. Also, the function of the Ricci scalar is evaluated.     

The <Emphasis Type="Italic">q</Emphasis>-boson-fermion realizations of the quantum superalgebra <Emphasis Type="Italic">U</Emphasis><Subscript><Emphasis Type="Italic">q</Emphasis></Subscript>(<Emphasis Type="Italic">osp</Emphasis>(1/2))

We show that our construction of realizations for algebras and quantum algebras can be generalized to quantum superalgebras too. We studyan example of quantum superalgebra U _q (osp(1/2)) and give the boson-fermion realization with respect to one pair of q-boson operators and one pair of fermions.     

Radiative <Emphasis Type="Italic">K</Emphasis><Subscript><Emphasis Type="Italic">e</Emphasis>3</Subscript> decays revisited

Motivated by recent experimental results and ongoing measurements, we review the chiral perturbation theory prediction for decays. Special emphasis is given to the stability of the inner bremsstrahlung-dominated relative branching ratio versus the K _e3 form factors, and on the separation of the structure-dependent amplitude in differential distributions over the phase space. For the structure-dependent terms, an assessment of the order p ⁶ corrections is given, in particular, a full next-to-leading order calculation of the axial component is performed. The experimental analysis of the photon energy spectrum is discussed, and other potentially useful distributions are introduced.Received: 9 December 2004, Published online: 21 February 2005PACS: 13.20.Eb, 11.30.Rd, 12.39.Fe     

Polynomial Realization of <Emphasis Type="Italic">s</Emphasis>l<Subscript><Emphasis Type="Italic">q</Emphasis></Subscript>(2) and Fusion Rules at Exceptional Values of <Emphasis Type="Italic">q</Emphasis>

Representations of the sℓ_q(2) algebra are constructed in the space of polynomials of real (complex) variable for q^N=1. The spin addition rule based on eigenvalues of Casimir operator is illustrated on few simplest cases and conjecture for general case is formulated.