Search results for "Spectral"
showing 10 items of 3116 documents
Ab initio study on the low-lying excited states of retinal
1997
Ab initio results for the electronic spectrum of all-trans-retinal and its truncated model 3-methyl-all-trans (10-s-cis)-2,4,6,8,10-undecapentaen-1-al are presented. The study includes geometry determination of the ground state. Vertical excitation energies have been computed using multiconfigurational second-order perturbation theory through the CASPT2 formalism. The lowest singlet excited state in gas phase is predicted to be of nπ∗ character. The lowest triplet state corresponds, however, to a ππ∗ state. The most intense feature of the spectrum is due to the strongly dipole-allowed ππ∗ transition, in accordance with the observed maximum in the one-photon spectra. The vertical excitation …
First-Principles Calculations of Angle-Resolved and Spin-Resolved Photoemission Spectra of Cr(110) Surfaces at the2p−3dCr Resonance
2013
A first principles approach for spin- and angle-resolved resonant photoemission is developed within multiple scattering theory and applied to a Cr(110) surface at the 2p-3d resonance. The resonant photocurrent from this nonferromagnetic system is found to be strongly spin polarized by circularly polarized light, in agreement with experiments on antiferromagnetic and magnetically disordered systems. By comparing the antiferromagnetic and Pauli-paramagnetic phases of Cr, we explicitly show that the spin polarization of the photocurrent is independent of the existence of local magnetic moments, solving a long-standing debate on the origin of such polarization. New spin polarization effects are…
A critical assessment of automatic photoelastic methods for the analysis of edge residual stresses in glass
2014
The measurement of residual stresses is of great importance in the glass industry. The analysis of residual stresses in the glass is usually carried out by photoelastic methods since the glass is a photoelastic material. This article considers the determination of membrane residual stresses of glass plates by digital photoelasticity. In particular, it presents a critical assessment concerning the automated methods based on gray-field polariscope, spectral content analysis, phase shifting, RGB photoelasticity, “test fringes” methods and “tint plate” method. These methods can effectively automate manual methods currently specified in some standards.
The landscape of the excitation profiles of the αE and β emission bands in silica
1999
Abstract We report data about the relevance of the conformational heterogeneity in determining the optical properties of oxygen deficiency point defects in natural silica samples. The spectral profiles of the photoluminescence emissions at about 4.2 eV (α E band) and at about 3.15 eV (β band), and the efficiency of the intersystem-crossing mechanism connecting them appear modified by a fine tuning of the excitation energy within the B 2β absorption band. Moreover, the relative excitation optically spectra indicate the presence of optically distinguishable contributions to the emission profile. The reported data are attributed to a distribution of centers that maps into a spectral inhomogene…
The origin of the intrinsic 1.9 eV luminescence band in glassy SiO2
1994
Abstract The current controversy over the nature of the centers giving rise to the 1.9 eV photoluminescence (PL) band (the R-band), the suggested defect models and the relevant experimental data are briefly reviewed. The luminescence emission, excitation and polarization spectra of neutron-irradiated synthetic silica were studied between 6 and 300 K using site-selective dye-laser and Ar ion laser excitation. Resonant zero-phonon lines (ZPL) were observed below 80 K both in luminescence emission and excitation spectra in the 1.9–2.1 eV region. A vibration line in emission spectra 890 cm−1 below the ZPL energy is attributed to the symmetric stretching vibration of the silicon-non-bridging oxy…
Luminescence-detected EPR of oxygen-fluorine vacancy complexes in CaF2
2009
In several CaF2 single crystals grown by the Bridgman method and doped with CaO or in addition with SrF2 or NaF a luminescence band between 470 nm and 600 nm could be excited at 212 nm, its peak wavelength depending on the doping. With photo-luminescence (PL) detected EPR five spin triplet centres were identified. Their axial fine structure constants D varied from 87 mT to 690 mT whereby the most intense spectra had the smallest D value. Theoretical calculations of the fine structure tensors and superhyperfine interactions show that the most intense and probable triplet centre consists of a pair of an OF– on a F– site next to a nearest neighbour F– vacancy which, compared to the well-known …
Short-lived luminescence of mixed silver halides
1993
Abstract Two kinds of excitonic luminescence were investigated for the entire series of solid solutions, AgBr1−xClx, (0 ⪕ x ⪕ 1). The time-resolved spectra observed around 2.5 eV after both pulsed high-power electron beam and N2-laser irradiations are analyzed in terms of the diffusion-controlled recombination of Frenkel defects Ag0i and Ag2+V-c. It is shown that the effective activation energy of Ag0i migration is a linear function of the composition x; and predominantly two kinds of nearest neighbours contribute to this process. The position of maximum of the excitonic molecule luminescence found in mixed monocrystals and fibers reveals a distinctive dependence on the composition x. Its a…
Excitonic Transitions in Homoepitaxial GaN
2001
The photoluminescence spectrum of a high quality homoepitaxial GaN film has been measured as a function of temperature. As temperature increases the recombination of free excitons dominates the spectra. Their energy shift has successfully fitted in that temperature range by means of the Bose-Einstein expression instead of Varshni's relationship. Values for the parameters of both semi-empirical relations describing the energy shift are reported and compared with the literature.
Peculiarities of photoluminescence excited by 157nm wavelength F2 excimer laser in fused and unfused silicon dioxide
2009
Abstract Photoluminescence (PL) spectra and kinetics of high purity amorphous silicon dioxide with ultra low hydroxyl content is studied under the excitation by F 2 excimer laser (157 nm wavelength) pulses. Materials synthesized in the SPCVD plasma chemical process are studied before and after fusion. Two bands are found in the PL spectra: one centered at 2.6–2.9 eV (a blue band) and the other at 4.4 eV (a UV band). Luminescence intensity of unfused material is found to increase significantly with exposure time starting from a very small level, whereas in fused counterpart it does not depend on irradiation time. Both bands show complicated decay kinetics, to which add exponential and hyperb…
Thienylpyridine-based cyclometallated iridium(III) complexes and their use in solid state light-emitting electrochemical cells
2013
The synthesis and characterization of four iridium(iii) complexes [Ir(thpy)2(N^N)][PF6] where Hthpy = 2-(2'-thienyl)pyridine and N^N are 6-phenyl-2,2'-bipyridine (1), 4,4'-di-(t)butyl-2,2'-bipyridine (2), 4,4'-di-(t)butyl-6-phenyl-2,2'-bipyridine (3) or 4,4'-dimethylthio-2,2'-bipyridine (4) are described. The single crystal structures of ligand 4 and the complexes containing the [Ir(thpy)2(1)](+) and [Ir(thpy)2(4)](+) cations have been determined. In [Ir(thpy)2(1)](+), the pendant phenyl ring engages in an intra-cation π-stacking interaction with one of the thienyl rings in the solid state, and undergoes hindered rotation on the NMR timescale in [Ir(thpy)2(1)](+) and [Ir(thpy)2(3)](+). The …