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X-ray absorption near edge spectroscopy of thermochromic phase transition in CuMoO4
(Institute for Low Temperature Physics and Engineering, 2018)
Thermochromic phase transition was studied in CuMoO4 using the Cu and Mo K-edge x-ray absorption spec-troscopy in the temperature range of 10-300 K. The hysteretic behavior has been evidenced from the tempera-ture dependence ...
Thermally induced fading of Mn-doped YAP nanoceramic
(Institute of Physics Publishing, 2018)
Neural Network Approach for Characterizing Structural Transformations by X-Ray Absorption Fine Structure Spectroscopy
(American Physical Society, 2018)
The knowledge of the coordination environment around various atomic species in many functional materials provides a key for explaining their properties and working mechanisms. Many structural motifs and their transformations ...
ODS ferritic steels obtained from gas atomized powders through the STARS processing route: Reactive synthesis as an alternative to mechanical alloying
(Elsevier Ltd, 2018)
Oxide Dispersion Strengthened Ferritic Stainless Steels (ODS FS) are candidate materials for structural components in fusion reactors. Their ultrafine microstructure and the presence of a very stable dispersion of Y-Ti-O ...
Surface relief grating recording in azobenzene epoxy films
(National Institute of Optoelectronics, 2018)
In this work the direct one step formation of surface relief gratings (SRG) in azo-epoxy polymer films during holographic recording was studied. In this material azo-compound is covalently attached to epoxy forming polymer. ...
Optical detection of paramagnetic centres in activated oxyfluoride glass-ceramics
(Polish Academy of Sciences, 2018)
Electron paramagnetic resonance (EPR), magnetic circular dichroism (MCD) and EPR detected via MCD (MCD-EPR) investigations have been performed on rare-earth activated oxyfluoride glasses and glass-ceramics. Er3+, Gd3+, and ...
Systematic trends in (0 0 1) surface ab initio calculations of ABO3 perovskites
(Elsevier B.V., 2018)
By means of the hybrid exchange–correlation functionals, as it is implemented in the CRYSTAL computer code, ab initio calculations for main ABO3 perovskite (0 0 1) surfaces, namely SrTiO3, BaTiO3, PbTiO3, CaTiO3, SrZrO3, ...
Origin of Pressure-Induced Metallization in Cu3N: An X-ray Absorption Spectroscopy Study
(Wiley-VCH Verlag, 2018)
High-pressure (0–26.7 GPa) Cu K-edge X-ray absorption spectroscopy is used to study possible structural modifications of anti-perovskite-type copper nitride (Cu3N) crystal lattice. The analysis of X-ray absorption near-edge ...
Transition levels of acceptor impurities in ZnO crystals by DFT-LCAO calculations
(Institute of Physics Publishing, 2018)
Large scale ab-initio calculations are carried out to study the charge state transition levels of nitrogen and phosphorus impurity defects in zinc oxide crystals using the DFT-LCAO approximation as implemented into the ...
Theoretical investigations of nitrogen doping on Co 3 O 4 for water dissociation catalytically activity
(Institute of Physics Publishing, 2018)
We report the results of theoretical investigations of nitrogen doping on Co 3 O 4 (100) bulk by means of the plane-wave periodic density functional theory (DFT) calculations combined with the Hubbard-U approach and ...