Identification of the weak features in N 1s near-edge X-ray absorption fine structure of N2O multilayer

The multiple-scattering cluster method has been employed to calculate N 1s near-edge X-ray absorption fine structure (NEXAFS) of N2O single molecule and N2O multilayer. It has been shown that the complicated weak features in the NEXAFS of N2O multilayer are attributed to four sigma resonances and tw...

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Bibliographic Details
Published in:Physica. B, Condensed matter Condensed matter, 2008-12, Vol.403 (23-24), p.4151-4155
Main Authors: WU, Tai-Quan, PING ZHU, TANG, Jing-Chang, JIANG, Zhou-Ting
Format: Article
Language:English
Subjects:
Condensed matter: structure, mechanical and thermal properties
Exact sciences and technology
Physics
Structure of solids and liquids
crystallography
X-ray absorption spectroscopy: exafs, nexafs, xanes, etc
X-ray diffraction and scattering
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Summary:The multiple-scattering cluster method has been employed to calculate N 1s near-edge X-ray absorption fine structure (NEXAFS) of N2O single molecule and N2O multilayer. It has been shown that the complicated weak features in the NEXAFS of N2O multilayer are attributed to four sigma resonances and two weak features. Two weak features are attributed to the interaction between N2O molecular layers. The result of the self-consistent field (SCF) DV-Xalpha calculation of N2O multilayer has confirmed above conclusion. The analysis of N2O numbers in molecular chain shows the feature sigma1 is weakened due to the interaction between the intermediate photoelectron and the potential of the ionic molecules.
ISSN:0921-4526
1873-2135
DOI:10.1016/j.physb.2008.08.023