Search results for "670"

Study of the thermochromic phase transition in CuMo$_{1-x}$W$_x$O$_4$ solid solutions at the W L$_3$-edge by resonant X-ray emission spectroscopy

2020

Polycrystalline CuMo$_{1-x}$W$_x$O$_4$ solid solutions were studied by resonant X-ray emission spectroscopy (RXES) at the W L$_3$-edge to follow a variation of the tungsten local atomic and electronic structures across thermochromic phase transition as a function of sample composition and temperature. The experimental results were interpreted using ab initio calculations. The crystal-field splitting parameter for the 5d(W)-states was obtained from the analysis of the RXES plane and was used to evaluate the coordination of tungsten atoms. Temperature-dependent RXES measurements were successfully employed to determine the hysteretic behaviour of the structural phase transition between the $��…

Robres, Fernando Andrés, Benítez Sanchez-Blanco, Rafael y Ciscar Pallarés, Eugenio: El monasterio rebelde. Monarquía y poder monástico en reinode Val…

2021

Local structural investigation of hafnia-zirconia polymorphs in powders and thin films by X-ray absorption spectroscopy

2019

Björn Matthey (Fraunhofer IKTS, Dresden) is acknowledged for providing HfO2 and ZrO2 powders on short notice after DESY’s renowned customs office punished us. Parts of this research were carried out at Petra III at DESY, a member of the Helmholtz Association (HGF). The experiments on single Si:HfO2 thin film samples were performed at the CLAESS beamline at ALBA Synchrotron with the collaboration of ALBA staff. We would like to thank Edmund Welter for assistance (in using beamline P65) and DESY for enabling this research for proposal no. 20160591 and for travel support. T.S. acknowledges the German Research Foundation (DFG) for funding this work in the frame of the project “Inferox” (project…

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1710

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Diarylethenes in Optically Switchable Organic Light-Emitting Diodes: Direct Investigation of the Reversible Charge Carrier Trapping Process

2021

Advanced optical materials 10, (2021). doi:10.1002/adom.202101116

Essential features of optical processes in neon-buffered submicron-thin Rb vapor cell

2010

A new submicron thin cell (STC) filled with Rb and neon gas is developed and comparison of resonant absorption with STC containing pure Rb is provided. The effect of collapse and revival of Dicke-type narrowing is still observable for the thickness L = lambda /2 and L = lambda , where lambda is a resonant laser wavelength 794 nm (D(1) line). For an ordinary Rb cm-size cell with addition of buffer gas, the velocity selective optical pumping/saturation (VSOP) resonances in saturated absorption spectra are fully suppressed if neon pressure0.5 Torr. A spectacular difference is that for L = lambda , VSOP resonances are still observable even when neon pressure isor = 6 Torr. Narrow fluorescence s…

Ab initio LCAO study of the atomic, electronic and magnetic structures and the lattice dynamics of triclinic CuWO4

2013

Abstract The electronic, structural and phonon properties of antiferromagnetic triclinic CuWO 4 have been studied using the first-principles spin-polarized linear combination of atomic orbital (LCAO) calculations based on the hybrid exchange–correlation density functional (DFT)/Hartree–Fock (HF) scheme. In addition, the local atomic structure around both Cu and W atoms has been probed using extended X-ray absorption fine structure (EXAFS) spectroscopy. We show that, by using the hybrid DFT–HF functional, one can accurately and simultaneously describe the atomic structure (the unit cell parameters and the atomic fractional coordinates), the band gap and the phonon frequencies. In agreement w…

Temperature dependence of the local structure and lattice dynamics of wurtzite-type ZnO

2014

Temperature-dependent (10–300 K) Zn K-edge extended X-ray absorption fine structure (EXAFS) spectra of polycrystalline wurtzitetype ZnO were analyzed using ab initio multiple-scattering theory and taking into account anisotropy of the crystallographic structure and thermal disorder. We employed two different simulation approaches: classical molecular dynamics (MD) and reverse Monte Carlo coupled with an evolutionary algorithm (RMC/EA method). The accuracy of several force-field models, which are commonly used in the MD simulations of bulk and nanostructured ZnO, was tested based on a comparison between the experimental and simulated Zn K-edge EXAFS spectra. It was found that available force…

Thermal disorder and correlation effects in anti-perovskite-type copper nitride

2017

This work has been supported by the Latvian National Research Program IMIS2. The EXAFS experiment has been financed from the European Community's Seventh Framework Programme under grant agreement No. 226716 (Project I-20100098 EC). J.T. also gratefully acknowledges support from the National Science Foundation under the DMREF program Grant No. CHE-1534184.