Search results for "Note"
showing 10 items of 10709 documents
Discovery of new boron-rich chalcogenides: Orthorhombic B6X (X=S, Se)
2020
The authors thank T. Chauveau (LSPM) for help with Rietveld analysis, A. Jamali (LRCS) for assistance with SEM measurements, and Drs. Y. Tange (SPring-8) and N. Guignot (SOLEIL) for help in synchrotron experiments that were carried out during beamtimes allocated to proposals 2017A1047 & 2018A1121 at SPring-8 and proposal 20170092 at SOLEIL. Ab initio calculations have been performed using Rurik and Arkuda supercomputers. This work was financially supported by the European Union’s Horizon 2020 Research and Innovation Programme under Flintstone2020 project (grant agreement No. 689279). Z.W. thanks the National Science Foundation of China (grant No. 11604159). A.R.O. thanks the Russian Ministr…
Experimental and theoretical study of the energetic, morphological, and photoluminescence properties of CaZrO3:Eu3+
2018
In this study, we present a combined experimental and theoretical study of the geometry, electronic structure, morphology, and photoluminescence properties of CaZrO3:Eu3+ materials. The polymeric precursor method was employed to synthesize CaZrO3:Eu3+ crystals, while density functional theory calculations were performed to determine the geometrical and electronic properties of CaZrO3:Eu3+ in its ground and excited electronic states (singlet and triplet). The results were combined with X-ray diffraction (XRD) measurements to elucidate the local structural changes induced by the introduction of Eu3+ in the crystal lattice. This process results in the formation of intermediate levels in the ba…
Extraordinary nonlinear transmission modulation in a doubly resonant acousto-optical structure
2017
International audience; Acousto-optical modulators usually rely on coherent diffraction of light by a moving acoustic wave, leading to bulky devices with a long interaction length. We propose a subwavelength acousto-optical structure that instead relies on a double resonance to achieve strong modulation at near-infrared wavelengths. A periodic array of metal ridges on a piezoelectric substrate defines cavities that create a resonant dip in the optical transmission spectrum. The ridges simultaneously support large flexural vibrations when resonantly excited by a radio-frequency signal, effectively deforming the cavities and leading to strongly nonlinear acousto-optical modulation. The nano-o…
Short and long range order of Half-Heusler phases in (Ti,Zr,Hf)CoSb thermoelectric compounds
2016
Abstract The structural properties of (Ti,Zr,Hf)CoSb thermoelectric Half-Heusler compounds were investigated by synchrotron radiation based techniques. The short-range order, in particular the environment of the Co atoms, was studied by extended X-Ray absorption fine structure spectroscopy and the long range order by powder X-Ray diffraction. Structural models were obtained for the single phase materials TiCoSb0.85Sn0.15, ZrCoSb0.85Sn0.15, and HfCoSb0.85Sn0.15. These models were transferred for the phase-separated material Ti0.5Hf0.5CoSb0.85Sn0.15. As a result, proving that each Half-Heusler phase was well ordered, apart from the intermixing of Ti and Hf on its designated crystallographic l…
New insight into δ-Pu alloy oxidation kinetics highlighted by using in-situ X-ray diffraction coupled with an original Rietveld refinement method
2018
Abstract The reactivity of a δ-Pu alloy was studied under dry oxygen at different temperatures. Phase analysis has shown the presence of α-and β-Pu2O3, PuO2, as well as the destabilisation of the δ-phase. The oxidation kinetics were studied using in-situ X-ray diffraction coupled with an original method of Rietveld refinement enabling an individual monitoring of the growth of each oxide. The results have evidenced a parabolic stage resulting from the thickening of the α-Pu2O3 layer, in which a compressive stress state develops. This stage is followed by the linear growth of a porous PuO2 scale.
Noise-Assisted Crystallization of Opal Films
2012
International audience; An improvement of the crystal quality of opal fi lms self-assembled from polymer spheres in a moving meniscus using the agitation by white noise acoustic vibrations is demonstrated. A tenfold higher ordering of a hexagonal sphere packing in the (111) plane is achieved. This crystallization method, the mechanism of which is described in terms of the stochastic resonance, is a contrast to the widely used approach based on maintaining equilibrium conditions during the crystallization process. The precise quantifi cation of the incremental lattice order improvement as a function of acoustic noise intensity is achieved by calculating the probability of finding an opposite…
Growth and characterization of Mg 1‐x Cd x O thin films
2016
In this paper, we study the growth of thin films of the Mg1–xCdxO alloy in the Mg-rich range of compositions by using the metal organic chemical vapour deposition (MOCVD) method at low pressure. X-ray diffraction (XRD) has been used to analyse the compound formation and the progressive incorporation of Cd2+ ions into the cubic MgO lattice. Both, layers with a single-cubic phase of Mg1–xCdxO and layers with a phase separation, where Cd1–xMgxO and Mg1–xCdxO coexist, have been studied. Finally, a morphological study of the layers has been carried out by using scanning electron microscopy (SEM) and the layers' composition has been measured by energy dispersive X-ray analysis (EDX). (© 2016 WILE…
Defects at the TiO2(100) surface probed by resonant photoelectron diffraction.
2006
We report photoelectron diffraction (PED) experiments of weakly sub-stoichiometric TiO 2 (100) rutile surfaces. Apart from standard core-level PED from the Ti-2p3/2 line, we have studied valence band PED from the defect induced Ti-3d states in the insulating band gap. For maximum yield, the latter were resonantly excited at the Ti-2p absorption edge. The PED patterns have been analyzed within the forward scattering approximation as well as by comparison with simulated PED patterns obtained in multiple scattering calculations. The analysis shows that the defect induced Ti-3d charge is mainly located on the second layer Ti atoms. © 2007 Elsevier B.V. All rights reserved.
Defect States at theTiO2(110)Surface Probed by Resonant Photoelectron Diffraction
2008
The charge distribution of the defect states at the reduced ${\mathrm{TiO}}_{2}(110)$ surface is studied via a new method, the resonant photoelectron diffraction. The diffraction pattern from the defect state, excited at the $\mathrm{Ti}\mathrm{\text{\ensuremath{-}}}2p\mathrm{\text{\ensuremath{-}}}3d$ resonance, is analyzed in the forward scattering approach and on the basis of multiple scattering calculations. The defect charge is found to be shared by several surface and subsurface Ti sites with the dominant contribution on a specific subsurface site in agreement with density functional theory calculations.
Controlling the Formation of Sodium/Black Phosphorus IntercalationCompounds Towards High Sodium Content
2021
The solid-state synthesis of pure sodium-black phosphorus intercalation compounds (Na-BPICs) has been optimized in bulk for two stoichiometric ratios. Specifically, in-situ X-Ray diffraction (XRD) allowed the precise identification of the optimal temperature range for the formation of Na-BPICs: 94°C–96°C. Moreover, as the undesired formation of Na3P takes place at this very same range, we succeeded in introducing a new synthetic route based on a fast-thermal ball milling implementation that results in the bulk production of BPIC without Na3P in 9 out of 10 cases. Finally, by combining XRD, Raman spectroscopy, and DFT calculations we developed a new structural model for Na-based BPICs showin…