Search results for "Names"
showing 10 items of 6843 documents
Spectroscopic study of the electric field induced valence change of Fe-defect centers in SrTiO(3)
2011
The electrochemical changes induced by an electric field in Fe-doped SrTiO(3) have been investigated by X-ray absorption spectroscopy (XANES and EXAFS), electron paramagnetic resonance (EPR) and Raman spectroscopy. A detailed study of the Fe dopant in the regions around the anode and cathode reveals new insights into the local structure and valence state of Fe in SrTiO(3) single crystals. The ab initio full multiple-scattering XANES calculations give an evidence of the oxygen vacancy presence in the first coordination shell of iron. Differences in the length and disorder of the Fe-O bonds as extracted from EXAFS are correlated to the unequivocal identification of the defect type by compleme…
Quantification of relaxor behavior in (1 − x)Na0.5Bi0.5TiO3 – xCaTiO3 lead-free ceramics system
2019
Abstract This work examines the relaxor behavior of lead-free ceramic (1 − x)Na0.5Bi0.5TiO3–xCaTiO3 systems. A stable rhombohedral (R3c) phase is detected at room temperature for all compositions by XRD and Raman spectroscopy. Relaxor behavior was observed in the temperature range 300 K - 400 K for all materials. Ceramics exhibit normal ferroelectric properties at room temperature, and then they develop relaxor characteristics with increasing temperature showing the same dispersive properties. This work quantifies the relaxor phenomenon at low temperature. For instance, the maximum temperature of relaxor and the order of dispersion were determined at the strongest dispersion. Finally, the s…
Direct observation of elemental segregation in InGaN nanowires by X-ray nanoprobe
2011
Using synchrotron radiation nanoprobe, this work reports on the elemental distribution in single Inx Ga1–xN nanowires (NWs) grown by molecular beam epitaxy directly on Si(111) substrates. Single NWs dispersed on Al covered sapphire were characterized by nano-X-ray fluorescence, Raman scattering and photoluminescence spectroscopy. Both Ga and In maps reveal an inhomogeneous axial distribution inside sin- gle NWs. The analysis of NWs from the same sample but with different dimensions suggests a decrease of In segregation with the reduction of NW diameter, while Ga distribution seems to remain unaltered. Photoluminescence and Raman scattering measurements carried out on ensembles of NWs exhibi…
Stealth dicing with ultrafast Bessel beams with engineered transverse profiles
2017
International audience; We investigate high-speed glass cleaving with ultrafast laser beams with engineered transverse intensity profile. We achieve accuracy of ~ 1 µm at 25 mm/s and drastically enhance cleavability compared to standard Bessel beams.
Light-induced nonthermal population of optical phonons in nanocrystals
2017
Raman spectroscopy is widely used to study bulk and nanomaterials, where information is frequently obtained from spectral line positions and intensities. In this study, we monitored the Raman spectrum of ensembles of semiconductor nanocrystals (NCs) as a function of optical excitation intensity (optical excitation experiments). We observe that in NCs the red-shift of the Raman peak position with increasing light power density is much steeper than that recorded for the corresponding bulk material. The increase in optical excitation intensity results also in an increasingly higher temperature of the NCs as obtained with Raman thermometry through the commonly used Stokes/anti-Stokes intensity …
High-Resolution Stimulated Raman Spectroscopy and Analysis of the ν1 Stretching Band of GeD4
2007
The high-resolution stimulated Raman spectrum of the ν1 band of GeD4 with natural isotopic abundance germanium has been recorded. It has been analyzed as part of the ν1/ν3 stretching dyad. The ν1 and ν3 band centers have been deduced for all the isotopologues. Copyright © 2006 John Wiley & Sons, Ltd.
Ab initio multi-reference perturbation theory calculations of the ground and low-lying electronic states of the KRb molecule
2016
The potential energy curves of the low-lying electronic states correlating up to the limit K(4p) + Rb(5s) of KRb molecule have been calculated using the multi-reference perturbation theory method at the CASSCF/ XMCQDPT2 level of theory without and with spin–orbit coupling. The calculated parameters of the ground X 1 R + state are in the best agreement among all previously performed ab initio calculations for the KRb molecule. The calculated vibrational intervals of the ground electronic term of the 39 K 85 Rb molecule describe the experiment with the accuracy within ±1 cm ?1 . The calculated intensities of the 2 1 R + (v 0 = 3, J 0 = 26) ? X 1 R + (v 00 = 0...24, J 00 = 25, 27) transitions …
Carbonyl-functionalized quaterthiophenes: a study of the vibrational Raman and electronic absorption/emission properties guided by theoretical calcul…
2011
This work investigates the evolution of the molecular, vibrational, and optical properties within a family of carbonyl-functionalized quaterthiophenes: 5,5'''-diheptanoyl-2,2':5',2'':5'',2'''-quaterthiophene (1), 5,5'''-diperfluorohexylcarbonyl-2,2':5',2'':5'',2'''-quaterthiophene (2), and 2,7-[bis(5-perfluorohexylcarbonylthien-2-yl)]-4H-cyclopenta[2,1-b:3,4-b']-dithiophene-4-one (3). The analysis is performed by Raman and UV/Vis absorption/excitation/fluorescence spectroscopy in combination with density functional calculations. Theoretical calculations show that substitution with carbonyl groups and perfluorohexyl chains induces progressive quinoidization of the π-conjugated backbone in co…
Theoretical investigation of the potential energy surface of the van der Waals complex CH4-N-2
2009
International audience; The interaction potential energy surface of the van der Waals CH4-N-2 complex has been calculated for a broad range of intermolecular separations and configurations in the approximation of rigid interacting molecules at the CCSD(T) and MP2 levels of theory using the correlation consistent aug-cc-pVTZ basis set. The BSSE correction was taken into account for all the calculations. The most stable configurations of the complex were found. Binding energies were calculated in the CBS limit with accounting for the molecular deformations. The harmonic and anharmonic fundamental vibrational frequencies and rotational constants for the ground and first excited vibrational sta…
Multiple vibrational resonances in the Raman spectra of liquid ethanes
1990
The Raman spectra of liquid ethane, ethane-d3 and ethane-d6 were recorded and analysed. The CH3 and CD3 stretching regions were computer resolved using Cauchy-Gaussian and Voigt functions to account for asymmetric band shapes. Multiple vibrational resonances were investigated using the wavenumbers and observed intensities in these regions. The developed basis functions show strong mixing of the levels in these regions. In general the resonances appear to be less strong in the liquid phase than reported in previous studies of the gaseous state. Some new assignments in the liquid-state spectra of ethanes could be suggested.