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.

Combined experimental and theoretical investigations of the photoluminescent behavior of Ba(Ti,Zr)O-3 thin films

The correlation between experimental data and theoretical calculations have been investigated to explain the photoluminescence at room temperature of Ba(Ti0.75Zr0.25)O-3 (BTZ) thin films prepared by the polymeric precursor method. The degree of structural order-disorder was investigated by X-ray diffraction, Fourier transform infrared spectroscopy, ultraviolet-visible absorption spectroscopy and photoluminescence (PL) measurements. First-principles quantum mechanical calculations based on density functional theory (B3LYP level) were employed to study the electronic structure of ordered and deformed asymmetric models. The electronic properties are analyzed and the relevance of the present theoretical and experimental results on the PL behavior is discussed. The presence of localized electronic levels and a charge gradient in the band gap due to a break in symmetry, are responsible for the PL in disordered BTZ lattice. (c) 2007 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Influence of oxygen atmosphere on crystallization and properties of LiNbO3 thin films

Thin films of lithium niobate were deposited on the Pt/Ti/SiO2 (111) substrates by spin coating from the polymeric precursor method (Pechini process). Annealing in static air and oxygen atmosphere was performed at 500 degreesC for 3 h. The films obtained were characterized by X-ray diffraction, scanning electron microscopy and transmission electron microscopy. The dielectric constant and dissipation factor were measured in frequency region from 10 Hz to 10 MHz. Electrical characterization of the films pointed to ferroelectricity via hysteresis loop. The influence of oxygen atmosphere on crystallization, morphology and properties of LiNbO3 thin films is discussed. (C) 2003 Elsevier Ltd. All rights reserved.

Ferroelectric and dielectric properties of vanadium-doped Ba(Ti0.90Zr0.10)O-3 ceramics

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Dependence of annealing time on structural and morphological properties of Ca(Zr0.05Ti0.95)O-3 thin films

Ca(Zr0.05Ti0.95)O-3 (CZT) thin films were prepared by the polymeric precursor method by spin-coating process. The films were deposited on Pt(1 1 1)/Ti/SiO2/Si(1 0 0) substrates and annealed at 650 degrees C for 2,4, and 6 It in oxygen atmosphere. Structure and morphology of the CZT thin films were characterized by the X-ray diffraction (XRD), Fourier-transform infrared spectroscopy (FT-IR), atomic force microscopy (AFM) and field-emission scanning electron microscopy (FEG-SEM). XRD revealed that the film is free of secondary phases and crystallizes in the orthorhombic structure. The annealing time influences the grain size, lattices parameter and in the film thickness. (c) 2006 Elsevier B.V. All rights reserved.

Study of structural evolution and photoluminescent properties at room temperature of Ca(Zr, Ti)O-3 powders

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Black and green pigments based on chromium-cobalt spinels

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

SrBi2(Ta0.5Nb0.5)(2)O-9 : W thin films obtained by chemical solution deposition: Morphological and ferroelectric characteristics

The effect of tungsten (W6+) ion substituting on dielectric and ferroelectric behavior in SrBi2(Ta0.5Nb0.5)(2)O-9 (SBTN) thin films prepared by polymeric precursor method was investigated at room temperature. The addition of W6+ ion in the SBTN lattice was evaluated by X-ray diffraction (XRD), microstructural and dielectrical properties. An increase in the grain size is evident when tungsten is introduced in the SBTN lattice. Substitution of tungsten until 10% on B site leads to introduce space charge polarization into the system, resulting in an appreciable decrease in both dielectric constant and tangent loss. The morphology of the thin films investigated by atomic force microscopy leads to an increase in the grain size after tungsten addition. Fatigue resistance was noted with increase in tungsten addition. (C) 2007 Elsevier B.V. All rights reserved.

SnO2 nanoparticles functionalized in amorphous silica and glass

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

The role of the Eu3+ ions in structure and photoluminescence properties of SrBi2Nb2O9 powders

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Effect of oxidizing atmosphere on ferroelectric and piezoelectric response of CaBi2Nb2O9 thin films

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

Dielectric Spectroscopy Analyses of SrBi4Ti4O15 Films Obtained from Soft Chemical Solution

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

Influência da adição de níquel na síntese do SrSnO3

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Ferroelectric and microstructural characteristics of SrBi2Ta2O9 thin films crystallized by the rapid thermal annealing process

Ferroelectric SrBi2Ta2O9 thin films on Pt/Ti/SiO2/Si were successfully synthesized by the modified polymeric precursor method. The films were deposited by spin coating and crystallized by rapid thermal annealing in a halogen lamp furnace, followed by postannealing at temperatures ranging from 700 degreesC to 800 degreesC in an oxygen atmosphere. Microstructural and phase evaluations were followed by x-ray diffraction and atomic force microscopy. The films displayed spherical grain structures with a superficial roughness of approximately 3-6 nm. The dielectric constant values were 121 and 248 for films treated at 700 degreesC and 800 degreesC, respectively. The P-E curve showed a voltage shift toward the positive side, which was attributed to crystallization under the halogen illumination. The remanent polarization (2P(r)) and coercive field (E-c) were 7.1 muC/cm(2) and 113 kV/cm, and 18.8 muC/cm(2) and 93 kV/cm for the films treated at 700 degreesC and 800 degreesC, respectively. (C) 2001 American Institute of Physics.

Synthesis and characterization of PLZT (9/65/35) by the Pechini method and partial oxalate

ZrTiO4 (ZT), obtained by the Pechini method, was used as precursor for obtaining PLZT (lead lanthanum zirconium titanate). An aqueous solution of oxalic acid was prepared with particles of ZT, Pb(NO3)(2) and La2O3. After the PbC2O4 and La2O3 precipitate on ZT particles, the materials were calcined and X-ray diffraction (XRD) showed the cubic phase of PLZT. This material was sintered, in two steps, and a density of about 8.0 g/cm(3) was obtained. After the second sintering the XRD pattern showed the occurrence of tetragonal and rhombohedral phases. This was caused by a stoichiometric deviation and the material showed a high optical transparency. (C) 1998 Elsevier B.V. B.V. All rights reserved.