Uncertainty quantification in theoretical spectroscopy: The structural sensitivity of X-ray emission spectra

2017 ◽  
Vol 118 (2) ◽  
pp. e25458 ◽  
Author(s):  
Sangwar Wadtey Oung ◽  
Julian Rudolph ◽  
Christoph R. Jacob
Keyword(s):  
Uncertainty Quantification ◽  
Emission Spectra ◽  
Structural Sensitivity ◽  
X Ray ◽  
Theoretical Spectroscopy

scholarly journals Towards theoretical spectroscopy with error bars: systematic quantification of the structural sensitivity of calculated spectra

2020 ◽  
Vol 11 (7) ◽  
pp. 1862-1877 ◽  
Author(s):  
Tobias G. Bergmann ◽  
Michael O. Welzel ◽  
Christoph R. Jacob
Keyword(s):  
Uncertainty Quantification ◽  
Structural Sensitivity ◽  
Theoretical Spectroscopy ◽  
Error Bars

Uncertainty quantification is applied in theoretical spectroscopy to obtain error bars accounting for the structural sensitivity of calculated spectra.

Nano-probe x-ray analysis and high-resolution imaging on planar defects in high-pressure synthesized infinite-layer superconductor

1994 ◽  
Vol 52 ◽  
pp. 728-729
Author(s):  
Y. Y. Wang ◽  
H. Zhang ◽  
V. P. Dravid ◽  
H. Zhang ◽  
L. D. Marks ◽  
...  
Keyword(s):  
High Pressure ◽  
High Resolution ◽  
Atomic Structure ◽  
Emission Spectra ◽  
High Resolution Electron Microscopy ◽  
Planar Defects ◽  
X Ray ◽  
Infinite Layer ◽  
Resolution Electron ◽  
Resolution Imaging

Azuma et al. observed planar defects in a high pressure synthesized infinitelayer compound (i.e. ACuO2 (A=cation)), which exhibits superconductivity at ~110 K. It was proposed that the defects are cation deficient and that the superconductivity in this material is related to the planar defects. In this report, we present quantitative analysis of the planar defects utilizing nanometer probe xray microanalysis, high resolution electron microscopy, and image simulation to determine the chemical composition and atomic structure of the planar defects. We propose an atomic structure model for the planar defects.Infinite-layer samples with the nominal chemical formula, (Sr1-xCax)yCuO2 (x=0.3; y=0.9,1.0,1.1), were prepared using solid state synthesized low pressure forms of (Sr1-xCax)CuO2 with additions of CuO or (Sr1-xCax)2CuO3, followed by a high pressure treatment.Quantitative x-ray microanalysis, with a 1 nm probe, was performed using a cold field emission gun TEM (Hitachi HF-2000) equipped with an Oxford Pentafet thin-window x-ray detector. The probe was positioned on the planar defects, which has a 0.74 nm width, and x-ray emission spectra from the defects were compared with those obtained from vicinity regions.

Self-Consistent Field Calculations of X-Ray Emission Spectra of Surface Adsorbates and Polymers

1997 ◽  
Vol 7 (C2) ◽  
pp. C2-515-C2-516
Author(s):  
H. Agren ◽  
L. G.M. Pettersson ◽  
V. Carravetta ◽  
Y. Luo ◽  
L. Yang ◽  
...  
Keyword(s):  
Emission Spectra ◽  
X Ray ◽  
Consistent Field ◽  
Self Consistent ◽  
Surface Adsorbates ◽  
Self Consistent Field

EXPERIMENTAL AND THEORETICAL SOFT X-RAY EMISSION SPECTRA OF Cu-Pd SUBSTITUTIONAL ALLOYS

1987 ◽  
Vol 48 (C9) ◽  
pp. C9-1059-C9-1062
Author(s):  
P. J. DURHAM ◽  
C. F. HAGUE ◽  
J.-M. MARIOT ◽  
W. M. TEMMERMAN
Keyword(s):  
Emission Spectra ◽  
X Ray ◽  
Substitutional Alloys

ELECTRON STRUCTURE INVESTIGATIONS OF InGaP/GaAs(100) HETEROSTRUCTURES WITH InP QUANTUM DOTS

2007 ◽  
Vol 06 (03n04) ◽  
pp. 215-219
Author(s):  
E. P. DOMASHEVSKAYA ◽  
V. A. TEREKHOV ◽  
V. M. KASHKAROV ◽  
S. YU. TURISHCHEV ◽  
S. L. MOLODTSOV ◽  
...  
Keyword(s):  
Quantum Dots ◽  
Emission Spectra ◽  
Luminescence Spectra ◽  
Partial Density ◽  
Edge Structure ◽  
X Ray ◽  
Metal Organic ◽  
Structure Investigations ◽  
First Time ◽  
Inp Quantum Dots

Ultrasoft X-ray emission spectra (USXES) and X-ray absorption near-edge structure (XANES) spectra with the use of synchrotron radiation in the range of P L2,3-edges were obtained for the first time for nanostructures with InP quantum dots grown on GaAs 〈100〉 substrates by vapor-phase epitaxy from metal–organic compounds. These spectra represent local partial density of states in the valence and conduction bands. The additional XANES peak is detected; its intensity depends on the number of monolayers forming quantum dots. Assumptions are made on the band-to-band origin of luminescence spectra in the studied nanostructures.

X-ray emission spectra and structural models of BCN materials

1997 ◽  
Vol 248 (1-2) ◽  
pp. 86-89 ◽  
Author(s):  
E.Z. Kurmaev ◽  
A.V. Ezhov ◽  
S.N. Shamin ◽  
V.M. Cherkashenko ◽  
Yu.G. Andreev ◽  
...  
Keyword(s):  
Structural Models ◽  
Emission Spectra ◽  
X Ray
Sign in / Sign up

Export Citation Format

Share Document