Search results for "X-RAY ABSORPTION"

The local atomic structure and thermoelectric properties of Ir-doped ZnO: hybrid DFT calculations and XAS experiments

2021

We greatly acknowledge the financial support via the ERAF Project No. 1.1.1.1/18/A/073. Calculations have been performed under the Project HPC-EUROPA3 (INFRAIA-2016-1-730897), with the support of the EC Research Innovation Action under the H2020 Programme. A. C. gratefully acknowledges the technical support received from KTH-PDC. Institute of Solid State Physics, University of Latvia as the Center of Excellence has received funding from the European Union’s Horizon 2020 Framework Programme H2020-WIDESPREAD-01-2016-2017-TeamingPhase2 under grant agreement No. 739508, project CAMART2

Structure and polarized absorption spectra of Mn3+-substituted andalusites (viridines)

1977

Treatment of disorder effects in X-ray absorption spectra beyond the conventional approach

2020

The contribution of static and thermal disorder is one of the largest challenges for the accurate determination of the atomic structure from the extended X-ray absorption fine structure (EXAFS). Although there are a number of generally accepted approaches to solve this problem, which are widely used in the EXAFS data analysis, they often provide less accurate results when applied to outer coordination shells around the absorbing atom. In this case, the advanced techniques based on the molecular dynamics and reverse Monte Carlo simulations are known to be more appropriate: their strengths and weaknesses are reviewed here.

Microstructure and magnetic properties of colloidal cobalt nano-clusters

2010

The magnetic response of nanometer sized Co nanoparticles (NP) prepared using reverse micelle solutions are presented. The use of complementary structural and morphological probes (like transmission electron microscopy, high resolution electron microscopy, X-ray absorption spectroscopy) allowed to relate the magnetic properties to the size, morphology, composition and atomic structure of the nanoparticles. All data agree on the presence of a coreshell structure of NPs made of a metallic Co core surrounded by a thin Co-oxide layer. The coreshell microstructure of NPs affects its magnetic response mainly raising the anisotropy constant. (C) 2010 Elsevier B.V. All rights reserved.

Al driven peculiarities of local coordination and magnetic properties in single phase Alx CrFeCoNi high entropy alloys

2021

The authors thank the Helmholtz-Zentrum Berlin for the provision of access to synchrotron radiation facilities and allocation of synchrotron radiation at the PM2-VEKMAG, BAMline, and UE46_PGM-1 beamlines of BESSY II at HZB as well as measurement time for magnetometry at HZB CoreLab for Quantum Materials. A. S. acknowledges personal funding from CALIPSOplus project (the Grant Agreement no. 730872 from the EU Framework Programme for Research and Innovation HORIZON 2020). The financial support for the VEKMAG project and the PM2-VEKMAG beamline by the German Federal Ministry for Education and Research (Nos. BMBF 05K10PC2, 05K10WR1, 05K10KE1) and by HZB is cordially acknowledged by all co-author…

The influence of Zn$^{2+}$ ions on the local structure and thermochromic properties of Cu$_{1-x}$Zn$_x$MoO$_4$ solid solutions

2021

I. P., A. K. and A. K. would like to thank the support of the Latvian Council of Science project No. lzp-2019/1-0071. I.P. acknowledges the L‘OREAL Baltic “For Women In Science” Program with the support of the Latvian National Commission for UNESCO and the Latvian Academy of Sciences. The experiment at the PETRA III synchrotron was performed within project No. I-20190277 EC. The synchrotron experiments have been supported by the project CALIPSOplus under the Grant Agreement 730872 from the EU Framework Programme for Research and Innovation HORIZON 2020. Institute of Solid State Physics, University of Latvia as the Center of Excellence has received funding from the European Union’s Horizon 2…

Synthesis and characterization of GaN/ReS2, ZnS/ReS2 and ZnO/ReS2 core/shell nanowire heterostructures

2020

This research was funded by the ERDF project “Smart Metal Oxide Nanocoatings and HIPIMS Technology”, project number: 1.1.1.1/18/A/073. Institute of Solid State Physics, University of Latvia as the Center of Excellence has received funding from the European Union’s Horizon 2020 Framework Programme H2020-WIDESPREAD-01-2016-2017-TeamingPhase2 under grant agreement No. 739508, project CAMART².

Interpretation of the Cu K-edge EXAFS spectra of Cu3N using ab initio molecular dynamics

2020

Financial support provided by ERDF project No. 1.1.1.2/VIAA/l/16/147 (1.1.1.2/16/I/001) under the activity “Post-doctoral research aid” realized at the Institute of Solid State Physics, University of Latvia is greatly acknowledged. This work was supported by a grant from the Swiss National Supercomputing Centre (CSCS) under the project ID s681 .

EDA: EXAFS data-analysis software package

2021

The EXAFS data-analysis software package EDA consists of a suite of programs running under a Windows operating system environment that is designed to perform all steps of conventional EXAFS data analysis such as extraction of the XANES/EXAFS parts of the X-ray absorption coefficient, Fourier filtering and EXAFS fitting using the Gaussian and cumulant models. The package also includes two advanced approaches which allow the reconstruction of the radial distribution function (RDF) from EXAFS based on the regularization-like method and the calculation of configuration-averaged EXAFS using a set of atomic configurations obtained from molecular-dynamics or Monte Carlo simulations.---- / / / ----…

Cationic vacancies and anomalous spectral-weight transfer in Ti1−xTaxO2thin films studied via polarization-dependent near-edge x-ray absorption fine …

2013

We report the electronic structures of Ta-doped anatase TiO 2 thin films grown by pulsed laser deposition (PLD) with varying magnetization using a combination of first-principles calculations and near-edge x-ray absorption fine structure (NEXAFS) spectroscopy. The roles of Ta doping and Ti vacancies are clarified, and the observed room-temperature ferromagnetism is attributed to the localized magnetic moments at Ti vacancy sites ferromagnetically ordered by electron charge carriers. O K -edge spectra exhibit significant polarization dependence which is discussed and supported by first-principles calculations in relation to both the crystal symmetry and the formation of defects. In particula…