Soliton clusters inducing insulator-to-metal transition in polyacetylene: a Su-Schrieffer-Heeger model study

The Su-Schrieffer-Heeger (SSH) Hamiltonian has been one of most used models to study the electronic structure of polyacetylene (PA) chains. It has been reported in the literature that in the SSH framework a disordered soliton distribution can not produce a metallic regime. However, in this work (using the same SSH model and parameters) we show that this is possible. The necessary conditions for true metals (non-vanishing density of states and extended wavefunctions around the Fermi level) are obtained for soliton concentration higher than 6% through soliton segregation (clustering). These results are consistent with recent experimental data supporting disorder as an essential mechanism behind the high conductivity of conducting polymers. (C) 2001 Elsevier B.V. B.V. All rights reserved.

Disordered distribution of defects in polythiophene

In this work we study the electronic structure associated to a disordered distribution of bipolarons in polythiophene. The polymer chain is modelled by a tight-binding Hamiltonian with explicit treatment of electron-phonon coupling and the elastic energy of the sigma framework. The model also includes the electrostatic interaction due to the counterions. The density of states of the disordered system is obtained by the use of the Negative Factor Counting technique. Our results show that ion-induced conformational disorder can account for the closure of the gap and that the states around the Fermi level are extended. © 1993.

Synthesis, characterization and thermal behaviour of solid-state compounds of benzoates with some bivalent transition metal ions

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Morphological evolution of tin oxide nanobelts after phase transition

This article reports a study of the thermal stability and morphological changes in tin oxide nanobelts grown in the orthorhombic SnO phase. The nanobelts were heat-treated in a differential scanning calorimetry (DSC) furnace at 800 degrees C for I It in argon, oxygen, or synthetic air atmospheres. The samples were then characterized by DSC, X-ray diffraction (XRD), high resolution transmission electron microscopy (HRTEM), and high resolution field emission scanning electron microscopy (FE-SEM). The results confirmed that the orthorhombic SnO phase is thermodynamically unstable, causing the belts to transform into the SnO2 phase when heat-treated. During the phase transition, if oxygen is available in the furnace atmosphere, nanofibers grow at the edge of nanobelts at about 50 degrees of the belts' growth direction, while particles grow on the belt surface in the absence of oxygen. Although the decomposition process reduces the nanobelt cell volume by 22%, most belts remain monocrystalline after the heat treatment. The results confirm that phase transition is a decomposition process, which explains the morphological changes in the belts based on metallic tin generated in the process.

Simultaneous observation of the magnetic and electric behavior in a correlated system near a metal-semiconductor transition: ESR in pellets of conducting polymers

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

A model for the Schottky anomaly in metallic Nd2-yCeyCuO4

We present a simple model for the doped compound Nd2-yCevCuO4, in order to explain some recent experimental results on the latter. Within a Hartree-Fock context, we start from an impurity Anderson-like model and consider the magnetic splitting of the Nd-4f ground state Kramers doublet due to exchange interactions with the ordered Cu moments. Our results are in very good agreement with the experimental data, yielding a Schottky anomaly peak for the specific heat that reduces its amplitude, broadens and shifts to lower temperatures, upon Ce doping. For overdoped compounds at low temperatures, the specific heat behaves linearly and the magnetic susceptibility is constant. A smooth transition from this Fermi liquid-like behavior occurs as temperature is increased and, at high temperatures, the susceptibility exhibits a Curie-like behavior. Finally, we discuss some improvements our model is amenable to incorporate, (C) 1998 Elsevier B.V. B.V. All rights reserved.

THERMAL-HISTORY-DEPENDENT TRANSITION IN PRESSED PELLETS OF CLO4(-)-DOPED POLY(3-METHYLTHIOPHENE)

Electron-spin-resonance and dc conductivity data show a thermal-history-dependent transition at 240 K in pressed pellets of ClO4--doped poly(3-methylthiophene) (P3MT). We discuss the possibility of this transition to be a Peierls transition from a room-temperature-metallic to a charge-density-wave state driven by anions ordering at this temperature. Below 100 K, dc conductivity shows a change from linear to exponential decay. Nonlinear conductivity has also been observed in this system for very low electric fields.

Optical transition probabilities and compositional dependence of Judd-Ofelt parameters of Er3+ ions in fluoroindate glass

Fluoroindate glasses containing 1, 2, 3, and 4 mol% ErF3 were prepared in a dry box under an argon atmosphere. Absorption spectra of these glasses at room temperature were obtained. The Judd-Ofelt parameters Ωλ (λ = 2, 4, 6) for f-f transitions of Er3+ ions as well as transition probabilities, branching ratios, radiative lifetimes, and peak cross-sections for stimulated emission of each band were determined. The concentration effect on the intensities is analyzed. The optical properties of the fluoroindate glasses doped with Er3+ ions are compared with those of other glasses described in the literature. © 1995.

Tetragonal to monoclinic phase transition observed during Zr anodisation

Plasma electrolytic oxidation (PEO) is a coating procedure that utilises anodic oxidation in aqueous electrolytes above the dielectric breakdown voltage to produce oxide coatings that have specific properties. These conditions facilitate oxide formation under localised high temperatures and pressures that originate from short-lived microdischarges at sites over the metal surface and have fast oxide volume expansion. Anodic ZrO2 films were prepared by subjecting metallic zirconium to PEO in acid solutions (H2C 2O4 and H3PO4) using a galvanostatic DC regime. The ZrO2 microstructure was investigated in films that were prepared at different charge densities. During the anodic breakdown, an important change in the amplitude of the voltage oscillations at a specific charge density was observed (i.e., the transition charge density (Q T)). We verified that this transition charge is a monotonic function of both the current density and temperature applied during the anodisation, which indicated that Q T is an intrinsic response of this system. The oxide morphology and microstructure were characterised using SEM and X-ray diffraction experiments (XRD) techniques. X-ray diffraction analysis revealed that the change in voltage oscillation was correlated with oxide microstructure changes during the breakdown process. © 2012 Springer-Verlag Berlin Heidelberg.

Structural transition of ZnO thin films produced by RF magnetron sputtering at low temperatures

Zinc oxide (ZnO) thin films were prepared using reactive radio-frequency magnetron sputtering of a pure metallic zinc target onto glass substrates. The evolution of the surface morphology and the optical properties of the films were studied as a function of the substrate temperature, which was varied from 50 to 250 C. The surface topography of the samples was examined using atomic force microscopy (AFM), and their optical properties were studied via transmittance measurements in the UV-Vis-NIR region. DRX and AFM analyses showed that the surface morphology undergoes a structural transition at substrate temperatures of around 150 C. Actually, at 50 C the formation of small grains was observed while at 250 C the grains observed were larger and had more irregular shapes. The optical gap remained constant at ∼3.3 eV for all films. In the visible region, the average optical transmittance was 80 %. From these results, one can conclude that the morphological properties of the ZnO thin films were more greatly affected by the substrate temperature, due to mis-orientation of polycrystalline grains, than were the optical properties. © 2013 Springer Science+Business Media New York.

Structural, dielectric, ferroelectric and optical properties of PBCT, PBST and PCST complex thin films on LaNiO3 metallic conductive oxide layer coated Si substrates by the CSD technique

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)