Field-dependent conductivity at low electric fields in pressed pellets of doped poly (3-methylthiophene): evidence of charge-density wave depinning

Field-dependent conductivity at low electric fields was observed from low to room temperature in pressed pellets of doped poly(3-methylthiophene). The room temperature data showed good agreement with Bardeen's theory of charge-density wave depinning and the values of the parameters obtained are consistent with a strong electron-phonon interaction as expected for quasi-one dimensional systems. (C) 2003 Elsevier B.V. Ltd. All rights reserved.

Design of Gaussian basis sets to the theoretical interpretation of IR-spectrum of hexaaquachromium (III) ion, tetraoxochromium (IV) ion, and tetraoxochromium (VI) ion

The Generator Coordinate Hartree-Fock (GCHF) method is employed to design 16s, 16s10p, 24s17p13d, 25s17p13d, and 26s17p Gaussian basis sets for the H ((2)S), O ((3)P), O(2-) ((1)S), Cr(3+) ((4)F), Cr(4+) ((3)F), and Cr(6+) ((1)S) atomic species. These basis sets are then contracted to (4s) for H ((2)S), (6s4p) for O ((3)P), and O(2-) ((1)S), (986p3d) for Cr(3+) ((4)F), (10s8p3d) for Cr(4+) ((3)F), and (13s7p) for Cr(6+) (1S) by a standard procedure. For evaluation of the quality of those basis sets in molecular calculations, we have accomplished studies of total and orbital (HOMO and HOMO-1) energies at the HF-Roothaan level for the molecular species of our interest. The results obtained with the contracted basis sets are compared to the values obtained with our extended basis sets and to the standard 6-311G basis set from literature. Finally, the contracted basis sets are enriched with polarization function and then utilized in the theoretical interpretation of IR-spectrum of hexaaquachromium (III) ion, [Cr(H(2)O)(6)](3+), tetraoxochromium (IV) ion, [CrO(4)](4-), and tetraoxochromium (VI) ion, [CrO(4)](2-). The respective theoretical harmonic frequencies and IR-intensities were computed at the density functional theory (DFT) level. In the DFT calculations we employed the Becke's 1988 functional using the LYP correlation functional. The comparison between the results obtained and the corresponding experimental values indicates a very good description of the IR-spectra of the molecular ions studied, and that the GCHF method is still a legitimate alternative for selection of Gaussian basis sets. (C) 2003 Elsevier B.V. All rights reserved.

Quantum equivalence between the self-dual and the Maxwell-Chern-Simons models nonlinearly coupled to U(1) scalar fields

The use of master actions to prove duality at quantum level becomes cumbersome if one of the dual fields interacts nonlinearly with other fields. This is the case of the theory considered here consisting of U(1) scalar fields coupled to a self-dual field through a linear and a quadratic term in the self-dual field. Integrating perturbatively over the scalar fields and deriving effective actions for the self-dual and the gauge field we are able to consistently neglect awkward extra terms generated via master action and establish quantum duality up to cubic terms in the coupling constant. The duality holds for the partition function and some correlation functions. The absence of ghosts imposes restrictions on the coupling with the scalar fields.

Hopf-zero bifurcations of reversible vector fields

We study the dynamics of a class of reversible vector fields having eigenvalues (0, alphai, -alphai) around their symmetric equilibria. We give a complete list of all normal forms for such vector fields, their versal unfoldings, and the corresponding bifurcation diagrams of the codimensional-one case. We also obtain some important conclusions on the existence of homoclinic and heteroclinic orbits, invariant tori and symmetric periodic orbits.

Prediction and spatial variability of soil dynamic properties in sugar cane fields of S��o Paulo State Brazil

The objective of this work was to model and diagnose the spatial variability of soil load support capacity (SLSC) in sugar cane crop fields, as well as to evaluate the management impact on S��o Paulo State soil structure. The investigated variables were: pressure preconsolidation (sigma(p)), apparent cohesion () and internal friction angle (). The conclusions from the results were that the models and spatial dependence maps constitute important tools in the prediction and location of the mechanical internal strength of soils cultivated with sugar cane. They will help future soil management decisions so that soil structure sustainability will not be compromised.

Designing Gaussian basis sets to the theoretical study of the piezoelectric effect of perovskite (BaTiO3)

Gaussian basis sets (24s14p, 30s19p14d, and 33s21p14d for O (P-3), Ti (S-5), and Ba (S-1) atoms, respectively), are designed with the strategy of the Generator Coordinate Hartree-Fock method. The basis sets are then contracted to [6s4p], [10s5p4d], and [16s9p5d] to O, Ti, and Ba atoms, respectively, and used in calculations of total and orbital energies of (TiO+2)-Ti-1 and (BaO)-Ba-1 fragments for quality evaluation in molecular studies. For O atom, the [6s4p] basis set is enriched with d polarization function and used along with the [10s5p4d] and [16s9p5d] basis sets for the theoretical study of the piezoelectric effect of perovskite (BaTiO3). The results of this work evidence that the piezoelectric properties in BaTiO3 can be caused by electrostatic interactions. (C) 2003 Elsevier B.V. All rights reserved.

Gaussian basis sets by generator coordinate Hartree-Fock method to ab initio calculations of electron affinities of enolates

The Generator Coordinate Hartree-Fock (GCHF) method is employed to generate uncontracted 15s and 18s11p gaussian basis sets for the H, C and O atoms, respectively. These basis sets are then contracted to 3s and 4s H atom and 6s5p, for C and O atoms by a standard procedure. For quality evaluation of contracted basis sets in molecular calculations, we have accomplished calculations of total and orbital energies in the Hartree-Fock-Roothaaii (HFR) approach for CH, C(2) and CO molecules. The results obtained with the uncontracted basis sets are compared with values obtained with the standard D95, 6-311G basis sets and with values reported in the literature. The 4s and 6s5p basis sets are enriched with polarization and diffuse functions for atoms of the parent neutral systems and of the enolates anions (cycloheptanone enolate, 2,5-dimethyleyelopentanone enolate, 4-heptanone enolate, and di-isopropyl ketone enolate) from the literature, in order to assess their performance in ab initio molecular calculations, and applied for calculations of electron affinities of the enolates. The calculations were performed at the DFT (BLYP and B3LYP) and HF levels and compared with the corresponding experimental values and with those obtained by using other 6-3 1 + +G((*)) and 6-311 + +G((*)) basis sets from literature. For the enolates studied, the differences between the electron affinities obtained with GCHF basis sets, at the B3LYP level, and the experimental values are -0.001, -0,014, -0.001, and -0.001 eV. (C) 2002 Elsevier B.V. B.V. All rights reserved.

Energy States of Phosphorous Donor in Silicon in Fields up to 18 T

The evolution of the energy states of the phosphorous donor in silicon with magnetic field has been the subject of previous experimental and theoretical studies to fields of 10 T. We now present experimental optical absorption data to 18 T in combination with theoretical data to the same field. We observe features that are not revealed in the earlier work, including additional interactions and anti-crossings between the different final states. For example, according to the theory, for the "1s -> 2p (+)" transition, there are anti-crossings at about 5, 10, 14, 16, and 18 T. In the experiments, we resolve at least the 5, 10, and 14 T anti-crossings, and our data at 16 and 18 T are consistent with the calculations.

Anisotropy of the effective Lande factor in AlxGa1-x As parabolic quantum wells under applied magnetic fields

The anisotropy of the effective Lande factor in Al(x)Gal(1-x)As parabolic quantum wells under magnetic fields is theoretically investigated. The non-parabolicity and anisotropy of the conduction band are taken into account through the Ogg-McCombe Hamiltonian together with the cubic Dresselhaus spin-orbit term. The calculated effective g factor is larger when the magnetic field is applied along the growth direction. As the well widens, its anisotropy increases sharply and then decreases slowly. For the considered field strengths, the anisotropy is maximum for a well width similar to 50 angstrom. Moreover, this anisotropy increases with the field strength and the maximum value of the aluminum concentration within the quantum well. (C) 2010 Elsevier B.V. All rights reserved.

Static electric fields interfere in the viability of cells exposed to ionising radiation

Funda����o de Amparo �� Pesquisa do Estado de S��o Paulo (FAPESP)

Sliding Vector Fields via Slow-Fast Systems

Coordena����o de Aperfei��oamento de Pessoal de N��vel Superior (CAPES)

Anomalous metamagnetic-like transition in a FeRh/Fe3Pt interface occurring at T approximate to 120 K in the field-cooled-cooling curves for low magnetic fields

Conselho Nacional de Desenvolvimento Cient��fico e Tecnol��gico (CNPq)

VECTOR FIELDS TANGENT TO FOLIATIONS

We investigate in this paper the topological stability of pairs (omega, X), where w is a germ of an integrable 1-form and X is a germ of a vector field tangent to the foliation determined by omega.

Vertex operators and Jordan fields

The construction of Lie algebras in terms of Jordan algebra generators is discussed. The key to the construction is the triality relation already incorporated into matrix products. A generalisation to Kac-Moody algebras in terms of vertex operators is proposed and may provide a clue for the construction of new representations of Kac-Moody algebras in terms of Jordan fields. �� 1988.

Symplectic bosons, Fermi fields and super Jordan algebras

A construction relating the structures of super Lie and super Jordan algebras is proposed. This may clarify the role played by field theoretical realizations of super Jordan algebras in constructing representations of super Ka��-Moody algebras. The case of OSP(m, n) and super Clifford algebras involving independent Fermi fields and symplectic bosons is discussed in detail.