Inorganic Graphenylene: A Porous Two-Dimensional Material With Tunable Band Gap

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Refractive index changes in photochromic SbPO4-WO3 glass by exposure to band-gap radiation

We report photoinduced photo-darkening in SbPO4-WO3 glass by exposure to 532 nm light with a power density of 143 mW/cm(2). The time of exposure was varied between 0 and 256 min following which visible photo-darkening, peaking at 850 nm was observed. Spectrophotometer measurement of absorption was performed for both treated and untreated regions of the sample. Time exposure to below band-gap light results in a single exponent Gaussian absorption function over an exceptionally wide range of wavelengths (500 nm-1600 nm), with a 1/e width of 647.5 nm. Kramers-Kronig transform of the change in the absorption indicates a negative local change in the refractive index. The dispersed refractive index change at 1550 nm, Delta n, is calculated to be similar to -5 x 10(-8). The peak absorption increases with time of exposure and the photo-darkening remains irreversible at room temperature. Crown Copyright (C) 2010 Published by Elsevier B.V. All rights reserved.

Microstructure, dielectric properties and optical band gap control on the photoluminescence behavior of Ba[Zr0.25Ti0.75]O-3 thin films

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Strain- and electric field-induced band gap modulation in nitride nanomembranes

The hexagonal nanomembranes of the group III-nitrides are a subject of interest due to their novel technological applications. In this paper, we investigate the strain- and electric field-induced modulation of their band gaps in the framework of density functional theory. For AlN, the field-dependent modulation of the bandgap is found to be significant whereas the strain-induced semiconductor-metal transition is predicted for GaN. A relatively flat conduction band in AlN and GaN nanomembranes leads to an enhancement of their electronic mobility compared to that of their bulk counterparts. © 2013 IOP Publishing Ltd.

Theory of electrical characteristics for metal-oxide-insulator Schottky barrier and metal-insulator-metal structures

The metal-insulator or metal-amorphous semiconductor blocking contact is still not well understood. Here, the intimate metal-insulator and metal-oxide-insulator contact are discussed. Further, the steady-state characteristics of metal-oxide-insulator-metal structures are also discussed. Oxide is an insulator with wider energy band gap (about 50 Å thick). A uniform energetic distribution of impurities is considered in addition to impurities at a single energy level inside the surface charge region at the oxide-insulator interface. Analytical expressions are presented for electrical potential, field, thickness of the depletion region, capacitance, and charge accumulated in the surface charge region. The electrical characteristics are compared with reference to relative densities of two types of impurities. ln I is proportional to the square root of applied potential if energetically distributed impurities are relatively important. However, distribution of the electrical potential is quite complicated. In general energetically distributed impurities can considerably change the electrical characteristics of these structures.

Morphological and Structural changes of CaxSr1-xTiO3 Powders Obtained by the Microwave-Assisted Hydrothermal Method

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

Gap solitons in a dipolar Bose-Einstein condensate on a three-dimensional optical lattice

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

Gap solitons in fermion superfluids

We consider a dynamical model of a superfluid Fermi gas in the Bardeen-Cooper-Schrieffer regime trapped in a periodic optical lattice (OL) potential. The model is based on an equation for complex order parameter phi of the superfluid, which is derived from the relevant energy density and includes a self-repulsive term similar to phi(7/3). By means of the variational approximation (VA) and numerical simulations, we find families of stable one- and two-dimensional (I D and 2D) gap solitons (GSs) in this model. Chiefly, they are compact objects trapped in a single cell of the OL. Families of stable even and odd bound states of these GSs are also found in one dimension. A 3D GS family is constructed too, but solely within the framework of the VA. In the linear limit, the VA predicts an almost exact position of the left edge of the first band-gap in the OL-induced spectrum. The full VA provides an accurate description of families of I D and 2D fundamental GSs. We also demonstrate that a I D GS can be safely transported by an OL moving at a moderate velocity. (C) 2009 IMACS. Published by Elsevier B.V. All rights reserved.

Symbiotic gap and semigap solitons in Bose-Einstein condensates

Using the variational approximation and numerical simulations, we study one-dimensional gap solitons in a binary Bose-Einstein condensate trapped in an optical-lattice potential. We consider the case of interspecies repulsion, while the intraspecies interaction may be either repulsive or attractive. Several types of gap solitons are found: symmetric or asymmetric; unsplit or split, if centers of the components coincide or separate; intragap (with both chemical potentials falling into a single band gap) or intergap, otherwise. In the case of the intraspecies attraction, a smooth transition takes place between solitons in the semi-infinite gap, those in the first finite band gap, and semigap solitons (with one component in a band gap and the other in the semi-infinite gap).

Electronic structure, growth mechanism and photoluminescence of CaWO4 crystals

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

Efeitos da adição de átomos de Mn na rede do GaN via métodos de estrutura eletrônica

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

Visible PL phenomenon at room temperature in disordered structure of SrWO4 powder

The SrWO4 (SWO) powders were synthesized by the polymeric precursor method and annealed at different temperatures. The SWO structure was obtained by X-ray diffraction and the corresponding photoluminescence (PL) spectra was measured. The PL results reveal that the structural order-disorder degree in the SWO lattice influences in the PL emission intensity. Only the structurally order-disordered samples present broad and intense PL band in the visible range. To understand the origin of this phenomenon, we performed quantum-mechanical calculations with crystalline and order-disordered SWO periodic models. Their electronic structures were analyzed in terms of band structure. The appearance of localized levels in the band gap of the order-disordered structure was evidenced and is a favorable condition for the intense PL to occur.

Photoluminescence in disordered sm-doped PbTiO3: Experimental and theoretical approach

Sm-doped PbTiO3 powder was synthesized by the polymeric precursor method, and was heat treated at different temperatures. The x-ray diffraction, photoluminescence, and UV-visible were used as a probe for the structural order degree short-, intermediate-, and long-range orders. Sm-3+ ions were used as markers of these order-disorder transformations in the PbTiO3 system. From the Rietveld refinement of the Sm-doped PbTiO3 x-ray diffraction data, structural models were obtained and analyzed by periodic ab initio quantum mechanical calculations using the CRYSTAL 98 package within the framework of density functional theory at the B3LYP level. This program can yield important information regarding the structural and electronic properties of crystalline and disordered structures. The experimental and theoretical results indicate the presence of the localized states in the band gap, due to the symmetry break, which is responsible for visible photoluminescence at room temperature in the disordered structure. (c) 2006 American Institute of Physics.

Cation-oxygen interaction and oxygen stability in CaCu3Ti4O12 and CdCu3Ti4O12 lattices

The cubic perovskite related material CaCu3Ti4O12 has attracted a great deal of attention due to the high values of the static dielectric constant, of order 104, approximately constant in the temperature range 100-600 K. The substitution of Ca by Cd results in a similar temperature dependence but a static dielectric constant more than one order of magnitude lower. A theoretical electronic structure study is performed on CaCu3Ti4O12 (CCTO) and CdCu3Ti4O12 (CdCTO) using a tight binding with overlap method. Although the calculations are performed in a paramagnetic configuration, excellent agreement with experiment was found for the calculated band gap of CCTO. In spite of the fact that the band structures of both systems look practically the same, a significant difference is found in the calculated bond strength of Ca-O and Cd-O pairs, driven by the presence of Ti, with Ca-O interaction in CCTO loosened with respect to Cd-O interaction in the cadmium compound. It is suggested that O vacancies are more easily formed in CCTO, this being related to the lower electronegativity of Ca as compared to Cd. The formation of oxygen vacancies could be the origin of the difference in the static dielectric constant of the two compounds.

Electroluminescence of zinc oxide thin-films prepared via polymeric precursor and via sol-gel methods

Zinc oxide (ZnO) is an electroluminescent (EL) material that can emit light in different regions of electromagnetic spectrum when electrically excited. Since ZnO is chemically stable, inexpensive and environmentally friendly material, its EL property can be useful to construct solid-state lamps for illumination or as UV emitter. We present here two wet chemical methods to prepare ZnO thin-films: the Pechini method and the sol-gel method, with both methods resulting in crystalline and transparent films with transmittance > 85% at 550 nm. These films were used to make thin-film electroluminescent devices (TFELD) using two different insulator layers: lithium fluoride (LiF) or silica (SiO2). All the devices exhibit at least two wide emission bands in the visible range centered at 420 nm and at 380 nm attributed to the electronic defects in the ZnO optical band gap. Besides these two bands, the device using SiO2 and ZnO film obtained via sol-gel exhibits an additional band in the UV range centered at 350 nm which can be attributed to excitonic emission. These emission bands of ZnO can transfer their energy when a proper dopant is present. For the devices produced the voltage-current characteristics were measured in a specific range of applied voltage. (C) 2007 Elsevier B.V. All rights reserved.