scholarly journals Alignment of valence photoemission, x-ray absorption, and substrate density of states for an adsorbate on a semiconductor surface

2003 ◽  
Vol 67 (23) ◽  
Author(s):  
J. Schnadt ◽  
J. N. O’Shea ◽  
L. Patthey ◽  
J. Krempaský ◽  
N. Mårtensson ◽  
...  
Keyword(s):  
Density Of States ◽  
Semiconductor Surface ◽  
X Ray ◽  
X Ray Absorption

In situ XANES Study of Co2+ Ion Adsorption on Fe3O4 Nanoparticles in Supercritical Aqueous Fluids

2012 ◽  
Vol 1383 ◽  
Author(s):  
Hao Yan ◽  
Robert A. Mayanovic ◽  
Joseph Demster ◽  
Alan J. Anderson
Keyword(s):  
Angular Momentum ◽  
Density Of States ◽  
Fe3o4 Nanoparticles ◽  
Ion Adsorption ◽  
Edge Structure ◽  
X Ray ◽  
Peak Fitting ◽  
X Ray Absorption ◽  
In Situ Xanes

ABSTRACTIn situ x-ray absorption spectroscopy (XAS) measurements were made on Fe3O4 nanoparticles in supercritical aqueous fluids to 500 °C in order to study their reactivity with Co2+ aqua ions and to investigate the structural properties of the reacted nanoparticles. The analyses of the x-ray absorption near edge structure (XANES) of XAS indicate that reactivity of Fe3O4 nanoparticles with Co2+ ions is minimal to 200 °C but becomes significant in the 250–500 °C temperature range. XANES and angular momentum projected density of states (l-DOS) calculations were carried out using the FEFF8.2 code and analyses were made using multi-peak fitting to determine the origin of the features exhibited in the spectra.

Unoccupied density of states ofLa2−xSrxNiO4+δstudied by polarization-dependent x-ray-absorption spectroscopy and bremsstrahlung isochromat spectroscopy

1991 ◽  
Vol 44 (9) ◽  
pp. 4570-4575 ◽  
Author(s):  
P. Kuiper ◽  
J. van Elp ◽  
G. A. Sawatzky ◽  
A. Fujimori ◽  
S. Hosoya ◽  
...  
Keyword(s):  
Density Of States ◽  
Absorption Spectroscopy ◽  
X Ray ◽  
X Ray Absorption

STUDY OF ELECTRONIC STRUCTURE OF MgB2 BY MULTIPLE-SCATTERING CALCULATIONS OF B K-EDGE XANES

2002 ◽  
Vol 16 (11n12) ◽  
pp. 1605-1612
Author(s):  
ZIYU WU ◽  
N. L. SAINI ◽  
A. BIANCONI
Keyword(s):  
Multiple Scattering ◽  
Density Of States ◽  
Core Hole ◽  
Edge Structure ◽  
X Ray ◽  
The Core ◽  
Al Substitution ◽  
Band Structure Calculations ◽  
X Ray Absorption ◽  
Structure Calculations

The MgB 2 system is studied by self consistent multiple-scattering calculations at the B K-edge X-ray absorption near edge structure (XANES). We find that the features in the B K-edge XANES are strongly affected by medium and long range order with large influence of the core hole potential suggesting that the band structure calculations are not enough to provide a quantitative interpretation of the spectral features. We have investigated evolution of density of states in the conduction band as a function of Al substitution in place of the Mg. The results are consistent with the fact that the Al substitution influences mainly the density of states in the B σ-band and hence suppresses the superconductivity.

Electronic structure of twisted and planar rubrene molecules: a density functional study

2018 ◽  
Vol 20 (27) ◽  
pp. 18623-18629 ◽  
Author(s):  
T. Mukherjee ◽  
Sumona Sinha ◽  
M. Mukherjee
Keyword(s):  
Density Functional Theory ◽  
Electronic Structure ◽  
Density Of States ◽  
Electron Density Distribution ◽  
Density Functional ◽  
Functional Study ◽  
Functional Theory ◽  
X Ray ◽  
Homo And Lumo ◽  
X Ray Absorption

X-ray absorption spectra (XAS), the density of states (DOS) and the electron density distribution of the HOMO and LUMO for flat and twisted rubrene molecules have been calculated using density functional theory (DFT).

Local lattice expansion around Pd impurities in Cu and its influence on the Pd density of states: An extended x-ray-absorption fine-structure and Auger study

1987 ◽  
Vol 36 (17) ◽  
pp. 9098-9106 ◽  
Author(s):  
P. Weightman ◽  
H. Wright ◽  
S. D. Waddington ◽  
D. van der Marel ◽  
G. A. Sawatzky ◽  
...  
Keyword(s):  
Fine Structure ◽  
Density Of States ◽  
Lattice Expansion ◽  
X Ray ◽  
Absorption Fine ◽  
Local Lattice ◽  
X Ray Absorption
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