scholarly journals Rietveld Refinement and X-ray Absorption Study on the Bonding States of Lanthanum-Based Perovskite-Type Oxides La1-xCexCoO3

Crystals ◽  
2021 ◽  
Vol 12 (1) ◽  
pp. 50
Author(s):  
Duc-Chau Nguyen ◽  
Chia-Chin Chu ◽  
Aswin kumar Anbalagan ◽  
Chih-Hao Lee ◽  
Chia-Seng Chang
Keyword(s):  
Rietveld Refinement ◽  
Topological Analysis ◽  
Atomic Interaction ◽  
Absorption Data ◽  
Cubic Symmetry ◽  
X Ray ◽  
Local Structures ◽  
X Ray Absorption ◽  
Perovskite Type

Metal-oxygen bonding of the Ce-doped LaCoO3 system remains largely unexplored despite extensive studies on its magnetic properties. Here, we investigate the structure and local structure of nanoscale La1-xCexCoO3, with x = 0, 0.2, and 0.4, using the Rietveld refinement and synchrotron X-ray absorption techniques, complemented by topological analysis of experimental electron density and electron energy distribution. The Rietveld refinement results show that LaCoO3 subject to Ce addition is best interpretable by a model of cubic symmetry in contrast to the pristine LaCoO3, conventionally described by either a monoclinic model or a rhombohedral model. Ce4+/Co2+ are more evidently compatible dopants than Ce3+ for insertion into the main lattice. X-ray absorption data evidence the partially filled La 5d-band of the pristine LaCoO3 in accordance with the presence of La–O bonds with the shared-type atomic interaction. With increasing x, the increased Ce spectroscopic valence and enhanced La–O ionic bonding are noticeable. Characterization of the local structures around Co species also provides evidence to support the findings of the Rietveld refinement analysis.

SIGMAL: A Program for Calculating L-Shell lonization Cross-Sections

1981 ◽  
Vol 39 ◽  
pp. 198-199 ◽  
Author(s):  
R.F. Egerton
Keyword(s):  
Cross Sections ◽  
Fortran Program ◽  
Absorption Data ◽  
X Ray ◽  
Atomic Electrons ◽  
Energy Dependent ◽  
Hydrogenic Model ◽  
Electron Energy Loss ◽  
X Ray Absorption ◽  
Shell Ionization

SIGMAL is a short (∼ 100-line) Fortran program designed to rapidly compute cross-sections for L-shell ionization, particularly the partial crosssections required in quantitative electron energy-loss microanalysis. The program is based on a hydrogenic model, the L1 and L23 subshells being represented by scaled Coulombic wave functions, which allows the generalized oscillator strength (GOS) to be expressed analytically. In this basic form, the model predicts too large a cross-section at energies near to the ionization edge (see Fig. 1), due mainly to the fact that the screening effect of the atomic electrons is assumed constant over the L-shell region. This can be remedied by applying an energy-dependent correction to the GOS or to the effective nuclear charge, resulting in much closer agreement with experimental X-ray absorption data and with more sophisticated calculations (see Fig. 1 ).

EXELFS Studies of Carbon Fibers

1990 ◽  
Vol 48 (2) ◽  
pp. 72-73
Author(s):  
V. Serin ◽  
K. Hssein ◽  
G. Zanchi ◽  
J. Sévely
Keyword(s):  
Carbon Fibers ◽  
Energy Analysis ◽  
Electron Excitation ◽  
Complex Structures ◽  
High Modulus ◽  
Promising Technique ◽  
X Ray ◽  
Fine Structures ◽  
X Ray Absorption

The present developments of electron energy analysis in the microscopes by E.E.L.S. allow an accurate recording of the spectra and of their different complex structures associated with the inner shell electron excitation by the incident electrons (1). Among these structures, the Extended Energy Loss Fine Structures (EXELFS) are of particular interest. They are equivalent to the well known EXAFS oscillations in X-ray absorption spectroscopy. Due to the EELS characteristic, the Fourier analysis of EXELFS oscillations appears as a promising technique for the characterization of composite materials, the major constituents of which are low Z elements. Using EXELFS, we have developed a microstructural study of carbon fibers. This analysis concerns the carbon K edge, which appears in the spectra at 285 eV. The purpose of the paper is to compare the local short range order, determined by this way in the case of Courtauld HTS and P100 ex-polyacrylonitrile carbon fibers, which are high tensile strength (HTS) and high modulus (HM) fibers respectively.

scholarly journals Database of ab initio L-edge X-ray absorption near edge structure

2021 ◽  
Vol 8 (1) ◽  
Author(s):  
Yiming Chen ◽  
Chi Chen ◽  
Chen Zheng ◽  
Shyam Dwaraknath ◽  
Matthew K. Horton ◽  
...  
Keyword(s):  
High Throughput ◽  
Scattering Theory ◽  
Research Community ◽  
Metal Compounds ◽  
Edge Structure ◽  
X Ray ◽  
Initial Release ◽  
Computational Workflow ◽  
X Ray Absorption

AbstractThe L-edge X-ray Absorption Near Edge Structure (XANES) is widely used in the characterization of transition metal compounds. Here, we report the development of a database of computed L-edge XANES using the multiple scattering theory-based FEFF9 code. The initial release of the database contains more than 140,000 L-edge spectra for more than 22,000 structures generated using a high-throughput computational workflow. The data is disseminated through the Materials Project and addresses a critical need for L-edge XANES spectra among the research community.

Characterization of Silver Binding in Cryptomelane by X-ray Absorption Spectroscopy

1998 ◽  
Vol 524 ◽  
Author(s):  
R. Ravikumar ◽  
D. W. Fuerstenau ◽  
G. A. Waychunas
Keyword(s):  
Manganese Oxide ◽  
Silver Ions ◽  
Oxide Phase ◽  
Synthetic Sample ◽  
Temperature Spectrum ◽  
X Ray ◽  
Room Temperature Sample ◽  
X Ray Absorption ◽  
Temperature Sample

ABSTRACTUsing silver K-edge extended X-ray absorption fine structure (EXAFS) spectroscopy, two different samples of silver-containing manganese oxide were analyzed in the fluorescence mode. For the first sample, silver ions from solution were sorbed onto one synthetic manganese oxide phase, namely cryptomelane (KxMn8O16, where l<x<2). The second sample was a silvermanganese oxide from Colorado. From the EXAFS analysis, silver was found to occupy two different sites in the synthetic sample. The natural samples from Colorado also exhibited a very similar coordination distances as the synthetic samples. In the low temperature spectrum of the synthetic sample at 10 K, the Ag-O peak was found to be missing and the amplitude of the Ag- Ag peak was approximately three times larger than the corresponding room temperature sample.

Characterization of As-doped, p-type ZnO by x-ray absorption near-edge structure spectroscopy: Theory

2006 ◽  
Vol 89 (22) ◽  
pp. 222113 ◽  
Author(s):  
Sukit Limpijumnong ◽  
M. F. Smith ◽  
S. B. Zhang
Keyword(s):  
Edge Structure ◽  
X Ray ◽  
P Type ◽  
X Ray Absorption
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