On the photoluminescence behavior of samarium-doped strontium titanate nanostructures under UV light. A structural and electronic understanding

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

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)

Synthesis and photoluminescence behavior of Bi4Ti3O12 powders obtained by the complex polymerization method

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Effect of different surfactants on the shape, growth and photoluminescence behavior of MnWO4 crystals synthesized by the microwave-hydrothermal method

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

Synthesis and Photoluminescence Behavior of the Eu3+ Ions as a Nanocoating over a Silica Stober Matrix

In this work, a SiO2 spherical were prepared by the Stober Method and then recovered with a single layer of Eu2O3 oxide (SiO2@Eu2O3) obtained by the Polymeric Precursor Method. The SiO2@Eu2O3 powder was heated treated at 100, 300, 400, 500 and 800 A degrees C. The samples were characterized by the Scanning Electonic Microscopy (SEM), Thermal Analysis (TGA/DTA), and the luminescent properties of the SiO2@Eu2O3 powders were studied by their emission and excitation spectra as well as by the lifetime measurements of the Eu3+ D-5(0) -> aEuro parts per thousand F-7(2) transition. The SEM analysis shows that the silica prepared by the Stober Method is spherical with a particle size of 460 nm. The emission spectra of the SiO2@Eu2O3 powders presented the Eu3+ characteristics bands related to the D-5(0) -> aEuro parts per thousand F-7(J) (J = 0, 1, 2, 3, 4) transitions at 577, 591, 616, 649 and 695 nm, respectively. The band related to the D-5(0) -> aEuro parts per thousand F-7(2) transition is the most intense in the spectra, and its intensity decreases with the temperature enhancement. The decay curves of the SiO2@Eu2O3 samples presented monoexponential features, and the obtained lifetime values were higher than the Eu2O3 oxide. It was possible to conclude that the D-5(0) -> aEuro parts per thousand F-7(2) hypersensitive transition is strongly dependent on the Eu3+ surrounding.

Photoluminescence behavior in MgTiO3 powders with vacancy/distorted clusters and octahedral tilting

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

The role of structural order-disorder for visible intense photoluminescence in the BaZr0.5Ti0.5O3 thin films

The nature of the intense visible room temperature photoluminescence of BaZr0.5Ti0.5O3 non-crystalline thin films is discussed in the light of experimental results and theoretical calculations. The photoluminescence measurements reveal that the emission intensity changes with the degree of disorder in the BaZr0.5Ti0.5O3 lattice. First principles quantum mechanical techniques, based on density functional theory at B3LYP level, have been employed to study the electronic structure of a crystalline model and of structurally disordered models in order to detect the influence of disorder on the electronic structure. An analysis of the electronic charge distribution reveals local polarization in the disordered structures. The relevance of the present theoretical and experimental results on the photoluminescence behavior of BZT is discussed. (C) 2005 Elsevier B.V. All rights reserved.

Intense visible photoluminescence in Ba(Zr0.25Ti0.75)O-3 thin films

Photoluminescence at room temperature in Ba(Zr0.25Ti0.75)O-3 thin films was explained by the degree of structural order-disorder. Ultraviolet-visible absorption spectroscopy, photoluminescence, and first principles quantum mechanical measurements were performed. The film annealed at 400 degrees C for 4 h presents intense visible photoluminescence behavior at room temperature. The increase of temperature and annealing time creates [ZrO6]-[TiO6] clusters in the lattice leading to the trapping of electrons and holes. Thus, [ZrO5]-[TiO6]/[ZrO6]-[TiO6] clusters were the main reason for the photoluminescence behavior.

Combined experimental and theoretical study to understand the photoluminescence of Sr1-xTiO3-x

A joint experimental and theoretical study has been carried out to rationalize the results of visible photoluminescence measurements at room temperature on Sr1-xTiO3-x (ST) perovskite thin films. From the experimental side, ST thin films, x = 0 to 0.9, have been synthesized following soft chemical processing, and the corresponding photoluminescence properties have been measured. First principles quantum mechanical techniques, based on density functional theory at the B3LYP level, have been employed to study the electronic structure of a crystalline, stoichiometric (x = 0) ST-s model and a nonstoichiometric (SrO-deficient, x not equal 0) and structurally disordered ST-d model. The relevance of the present theoretical and experimental results of the photoluminescence behavior of ST is discussed. The optical spectra and the calculations indicate that the symmetry-breaking process on going from ST-s to ST-d creates electronic levels in the valence band. Moreover, an analysis of the Mulliken charge distribution reveals a charge gradient in the structure. These combined effects seem to be responsible for the photoluminescence behavior of deficient Sr1-xTiO3-x.

Density functional theory calculation of the electronic structure of Ba0.5Sr0.5TiO3: Photoluminescent properties and structural disorder

First-principles quantum-mechanical techniques, based on density functional theory (B3LYP level) were employed to study the electronic structure of ordered and deformed asymmetric models for Ba0.5Sr 0.5TiO3. Electronic properties are analyzed and the relevance of the present theoretical and experimental results on the photoluminescence behavior is discussed. The presence of localized electronic levels in the band gap, due to the symmetry break, would be responsible for the visible photoluminescence of the amorphous state at room temperature. Thin films were synthesized following a soft chemical processing. Their structure was confirmed by x-ray data and the corresponding photoluminescence properties measured.

Estudo da cerâmica PZT sob o ponto de vista microestrutural e propriedades eletro-ópticas

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Toward an Understanding of the Growth of Ag Filaments on alpha-Ag2WO4 and Their Photoluminescent Properties: A Combined Experimental and Theoretical Study

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Experimental and theoretical studies on the enhanced photoluminescence activity of zinc sulfide with a capping agent

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

Intense violet-blue photoluminescence in BaZrO3 powders: A theoretical and experimental investigation of structural order-disorder

Intense violet-blue photoluminescence (PL) emission at room temperature was verified in BaZrO3 (BZO) powders with structural order-disorder. Ab-initio calculations, ultraviolet-visible absorption spectroscopy and PL were performed. Theoretical results showed that the local disorder in the network-formed Zr clusters present an important role in the formation of hole-electron pair. The experimental data and theoretical results are in agreement, indicating that the PL emission in BZO powders can be related to the structural order-disorder degree in the lattice. (C) 2008 Elsevier B.V. All rights reserved.

Understanding the origin of photoluminescence in disordered Ca0.60Sr0.40WO4: An experimental and first-principles study

Visible photoluminescence (PL) was observed for the first time at room temperature in structurally disordered calcium strontium tungstate powder, Ca0.60Sr0.40WO4 (CSW), obtained by the polymeric precursor method. The PL behavior of CSW powders has been analyzed as a function of the disorder rate, based on experimental and theoretical studies. Quantum mechanical theory based on density functional theory at the B3LYP level has been employed to study the electronic structure of two periodic models representing both crystalline and disordered powders. Their electronic structures have been analyzed in terms of density of states, band dispersion and charge densities. The calculations indicate a break in symmetry when passing from crystalline to disordered models, creating localized electronic levels above the valence band. Moreover, a negative charge transfer process takes place from the [WO3] cluster to the [WO4] cluster. The polarization induced by the break in symmetry and the existence of localized levels favors the creation of trapped holes and electrons, originating the PL phenomenon. (c) 2007 Elsevier B.V. All rights reserved.