Search results for "Absorption"
showing 10 items of 2701 documents
Comparative quantum chemistry study of the F-center in lanthanum trifluoride
2020
Abstract In this study we report the results of first principle quantum chemical modeling of electronic structure and spatial configuration of LaF3 crystal containing the F-center. Theoretical predictions of atomic and electronic properties of LaF3 are given by means of density functional theory. From our modeling we predict that the F-center placed at fluorine ion position between the lanthanum planes at tysonite LaF3 is the most energetically stable. In order to interpret the structure of the optical absorption spectrum of X-irradiated LaF3 we performed calculations of excited and transition states of the F-center within the embedded cluster formalism using time dependent density function…
Optical absorption and Raman studies of neutron-irradiated Gd3Ga5O12 single crystals
2018
Abstract In this work we have performed a comparative analysis of optical absorption and micro-Raman spectra for series of Gd3Ga5O12 (GGG) single crystals irradiated by fast neutrons with fluences from 1016 n/cm2 to 1018 n/cm2. It was found that the optical absorption spectra of non-irradiated Czochralski grown GGG consist of the relatively narrow lines in the UV spectral range related to the 4f–4f transitions in Gd3+. Transitions from the 6S7/2 ground state to the 6P, 6J and 6D states in a Gd3+ cation are clearly detected. For a GGG crystal containing Ca impurity ions, additional absorption band at 350 nm is observed, and it is tentatively ascribed to oxygen vacancies associated with Ca im…
Oxygen-excess-related point defects in glassy/amorphous SiO2 and related materials
2012
Abstract An insight is given into recent experimental advances in the spectroscopic studies of oxygen-excess intrinsic defects, in glassy SiO 2 and α-quartz. By controlling excess oxygen in a-SiO 2 , and the conditions of F 2 -laser irradiation, SiO 2 glass samples can be obtained with optical absorption almost exclusively dominated by single defect, oxygen dangling bonds (“non-bridging oxygen hole centers” or NBOHCs), without the presence of complementary Si dangling bonds (generic “E′-centers”). This allows for a more accurate determination of the spectral shape of NBOHC optical absorption in UV and vacuum UV spectral regions. The temperature dependence of NBOHC electron paramagnetic reso…
Theoretical and experimental study of primary radiation defects in KNbO3 perovskite crystals
2000
Abstract The results of large-scale computer simulations of point defects – F-type electron centers and hole polarons bound to a potassium vacancy – in perovskite KNbO3 crystals are presented. One-site polarons and two-site (molecular) polarons are expected to coexist, both are characterized by close absorption energies around 1 eV. The transient absorption spectra and decay kinetics observed after ns-pulsed electron beam irradiation have been measured for different KNbO3 crystals. The relaxation kinetics of the optical density vary considerably for different impurity concentrations and sample stoichiometries. Experimental data are discussed in the light of the presented calculations.
Quantitative analysis of rhenium in irradiated tungsten
2021
Abstract Pure tungsten (W), irradiated to 3.5 dpa in a target of the Swiss neutron spallation source (SINQ), was characterized using high-sensitivity HPGe gamma ray spectroscopy to identify the present radionuclides. Synchrotron X-ray absorption spectroscopy was used to quantify the amount of Re produced in the irradiated W. An atomic concentration of 0.61% Re in the irradiated W was determined from the height of the L3-edge X-ray absorption edge jump. Analysis of the local atomic structure from the extended X-ray absorption fine structure (EXAFS) spectra indicates that rhenium (Re) produced in the system is mainly coordinated by W atoms and partly coordinated by void defects. First-princip…
ESR and PL centers induced by gamma rays in silica
1996
We have studied the point defects created by γ irradiation in various types of commercial silica glasses, including both natural and synthetic samples, with different OH content, in the low dose regime (0.05–100 Mrad). We found that the growth rate of E′ centers depends strongly on the silica type, ranging from 2 × 1015 cm−3 Mrad−1 to 6 × 1017 cm−3 Mrad−1. Samples of natural silica are rather susceptible to γ ray exposure, as E′ concentration saturates (typically 5 × 1017 cm−3) for doses as low as a few Mrads. For both synthetic and natural samples, the radiation hardness is higher in wet than in dry silica. Moreover, we found a strict correlation between the concentration of E′ centers and…
Comparison Between Point Defect Generation by $\gamma$-rays in Bulk and Fibre Samples of High Purity Amorphous ${\hbox {SiO}}_{2}$
2008
We compare the E', H(I) and Si-ODC(II) contents in a low-OH high-purity a-SiO2 either in bulk or fibre forms. We found that the H(I) centre appears during irradiation and tend to increase with the dose if the fibre contains hydrogen excess. This behaviour is believed to be one the possible reason to explain the apparent radiation-sensitivity enhancement in the blue-UV spectrum when the fibre is hydrogenated and irradiated at high dose. However for the hydrogen-treated fibres, no experimental repeatability could be evidenced in the measurements of E' and Si-ODC(II) although an acceptable agreement was still found in normal samples. This suggests a possible complex reactional mechanisms in pr…
Investigation of precipitate in an austenitic ODS steel containing a carbon-rich process control agent
2018
This work has been carried out within the framework of the German Helmholtz Association and has received funding from the topic “Materials Research for the Future Energy Supply”. The work of M. Parish and Rainer Ziegler is gratefully acknowledged. Thanks are also due to the team of the chemical laboratory at the KIT for performing the chemical analysis. The help of the beamline staff at ELETTRA (project 20140052 ) synchrotron radiation facility is acknowledged. We acknowledge support by Deutsche Forschungsgemeinschaft and Open Access Publishing Fund of Karlsruhe Institute of Technology.
Recent developments in the evaluation of Mössbauer line intensities
1985
The angular dependence of the intensities of pure or mixed multipole transitions is formulated in a new fashion, which takes into account arbitrary texture of the Mossbauer absorber ranging from complete orientation (single crystals) over preferred orientation to random powders and an anisotropic absorption fraction of the nuclei. The application of the theory is demonstrated by means of typical examples from the literature.
Radiation effects on silica-based preforms and optical fibers-II: Coupling ab initio simulations and experiments
2008
International audience; Abstract—Experimental characterization through electron paramagnetic resonance (EPR) and confocal luminescence microscopy (CML) of a Ge-doped glass (preform and fiber) reveals the generation of several point defects by 10 keV X-ray radiation-induced attenuation: GeE', Ge(1), Ge(2), and Ge-ODC. The generation mechanisms of Ge-ODC and charged defects like GeE' centers are studied through ab initio simulation. Our calculations used a 108 atom supercell with a glass composition comparable to the Ge-doped core or to the pure-silica cladding of the canonical sample. The large size of our cell allows us to study the influence of the local environment surrounding the X-ODC d…