Search results for "RAMAN"
showing 10 items of 1328 documents
Interstitial carbon defects in silicon. A quantum mechanical characterization through the infrared and Raman spectra.
2021
The infrared (IR) and Raman spectra of eight substitutional carbon defects in silicon are computed at the quantum mechanical level by using a periodic supercell approach based on hybrid functionals, an all electron Gaussian type basis set and the CRYSTAL code. The single substitutional C s case and its combination with a vacancy (C s V and C s SiV) are considered first. The progressive saturation of the four bonds of a Si atom with C is then examined. The last set of defects consists of a chain of adjacent carbon atoms C s i , with i = 1-3. The simple substitutional case, C s , is the common first member of the three sets. All these defects show important, very characteristic features in th…
Time‐gated Raman and laser‐induced breakdown spectroscopy in mapping of eudialyte and catapleiite
2019
Abstract Raman analysis of rock samples containing rare earth elements (REEs) is challenging due to the strong fluorescence, which may mask the weaker Raman signal. In this research, time‐gated (TG) Raman has been applied to the construction of the mineral distribution map from REE‐bearing rock. With TG Raman, material is excited with a short subnanosecond laser pulse, and the Raman signal is collected within a picosecond‐scale time window prior to the formation of a strong fluorescent signal by means of single‐photon avalanche diode array. This allows signal readout with a significantly reduced fluorescence background. TG Raman maps are used to reveal the location of valuable minerals and …
Synthesis, crystal structures, magnetic properties, and lattice dynamics of Ba2XCu(OH)[V2O7] with X=Cl, Br
2016
Abstract We have synthesized Ba2XCu(OH)[V2O7] with X=Cl, Br by hydrothermal methods. The isotypic structures (Pnma, Z=4, a≈15.1 A, b≈6.1 A, c≈9.6 A) contain distorted hexagonal layers of Ba and X in a BN-type arrangement. Each halide is further coordinated by one out-of plane Ba atom in an alternate up-down fashion resulting in an overall Ba 2 X 3 + ∞ 2 structural feature. The planar Ba–X hexagonal rings are centered by divanadate groups in an eclipsed orientation. Edge-sharing chains of CuO 2/2 (OH) 2/2 O 2/1 5 - ∞ 1 complement the structure. The magnetic properties are associated with the magnetic Cu2+ ions and can be described as an antiferromagnetic quasi 1D S=1/2 Heisenberg system. Co…
A Raman calibration for the quantification of SO42-groups dissolved in silicate glasses: Application to natural melt inclusions
2017
Sulfur is an important volatile element involved in magmatic systems. Its quantification in silicate glasses relies on state-of-the-art techniques such as electronprobe microanalyses (EPMA) or X-ray absorption spectroscopy but is often complicated by the fact that S dissolved in silicate glasses can adopt several oxidation states (S6+for sulfates or S2-for sulfides). In the present work, we use micro-Raman spectroscopy on a series of silicate glasses to quantify the S content. The database is constituted by 47 silicate glasses of various compositions (natural and synthetic) with S content ranging from 1179 to 13 180 ppm. Most of the investigated glasses have been synthesized at high pressur…
Structural Investigation of K-Feldspar KAlSi3O8Crystals by XRD and Raman Spectroscopy: An Application to Petrological Study of Luc Yen Pegmatites, Ye…
2016
K-feldspars in pegmatites from Luc Yen gem mining area, Yen Bai province, Vietnam were studied by X-ray fluorescence, X-ray powder diffraction and the Raman spectroscopy. Chemical analysis determined the K-feldspars in the form of (K0:8909Na0:0388Ca0:002Pb0:0042Cs0:0024Rb0:0338)(Al0:9975Fe0:0053Ti0:0004)Si2:988O8. Both X-ray powder diffraction and Raman spectroscopy indicated Luc Yen K-feldspars as orthoclase phase. Together with the values of Al content of the T1 tetrahedral sites in orthoclase, it is understood that Luc Yen pegmatites are of young ages (Cenozoic) and shallow intrusive types.
Heterostructured metal oxides-ZnO nanorods films prepared by SPPS route for photodegradation applications
2019
Abstract This work presents the first preparation using the Solution Precursor Plasma Spray process of heterostructured films associating ZnO nanorods (NRs) and various metal oxides (CuO, Fe2O3 and Co3O4) by Solution Precursor Plasma Spray process. These CuO/ZnO, Fe2O3/ZnO and Co3O4/ZnO films exhibit hierarchically chocolate sticks-like, dandelion-like or chrysanthemum-like surface morphologies. These heterostructures were confirmed by SEM, XRD, EDS and Raman analyses. The bandgaps of heterostructured films are narrower than that of pure ZnO. The CuO/ZnO film exhibits the highest photocatalytic activity both under UV and visible light irradiation for the degradation of the Orange II dye due…
Molecular Selectivity of CO–N 2 Mixed Hydrates: Raman Spectroscopy and GCMC Studies
2020
This paper reports a novel quantitative investigation concerning the CO selectivity properties for mixed CO–N2 hydrates. The study was developed by combining Raman scattering experiments and grand ...
Structural study of gallium oxynitrides prepared by ammonolysis of different oxide precursors
2009
International audience; A comparative structural study has been carried out on gallium oxynitride powders using XRD and Raman spectroscopy. Gallium oxynitrides have been prepared by ammonolysis of either NiGa2O4 ternary oxide or the citrate method-derived amorphous oxide. Their crystal chemistry is different and appears to be influenced by the nature of the oxide precursor: whereas gallium oxynitride obtained from amorphous gallium oxide crystallizes with the common wurtzite structure, gallium oxynitride obtained from NiGa2O4 crystallizes with an original structure that we have identified as the carborundum II (B6) structure type or 6H-SiC. As far as we know, this is the first 6H-SiC struct…
Experimental and theoretical investigation of the stability of the monoclinicBaWO4-II phase at high pressure and high temperature
2010
In this work we report high-pressure (HP) and high-temperature (HT) ex situ and in situ experiments in ${\text{BaWO}}_{4}$. Starting from powder samples of ${\text{BaWO}}_{4}$, scheelite structure $(I{4}_{1}/a)$, we reached conditions of 2.5--5.5 GPa and 400--1100 K using a Paris-Edinburgh press. The quenched samples were characterized by x-ray diffraction and Raman measurements at ambient conditions. Depending upon the final $P\text{\ensuremath{-}}T$ conditions we found either the scheelite or the monoclinic ${\text{BaWO}}_{4}$-II $(P{2}_{1}/n)$ structure. We also performed HP-HT in situ Raman measurements in a single crystal of ${\text{BaWO}}_{4}$ using a resistive-heated diamond-anvil ce…
The role of Ga and Bi doping on the local structure of transparent zinc oxide thin films
2021
The experiment at HASYLAB/DESY was performed within the project I-20180036 EC. The research leading to this result has been supported by the project CALIPSOplus under the Grant Agreement 730872 from the EU Framework Programme for Research and Innovation HORIZON 2020. Filipe Correia is grateful to the Fundação para a Ciência e Tecnologia (FCT, Portugal) for the Ph.D. Grant SFRH/BD/111720/2015. Joana Ribeiro is grateful to the Project WinPSC - POCI-01-0247-FEDER-017796, for the research grant from the Agência Nacional de Inovação, co-funded by the European Regional Development Fund (ERDF), through the Operational Programme for Competitiveness and Internationalisation (COMPETE 2020), under the…