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Multiple-Scattering Approaches to Near-Edge X-Ray Absorption Fine Structure of N2O/Cu(100) |
| WU Tai-Quan;TANG Jing-Chang;SHEN Shao-Lai;CAO Song;LI Hai-Yang |
| Department of Physics, Zhejiang University, Hangzhou 310027 |
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| Cite this article: |
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WU Tai-Quan, TANG Jing-Chang, SHEN Shao-Lai et al 2004 Chin. Phys. Lett. 21 1586-1589 |
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Abstract The nitrogen 1s near-edge x-ray absorption fine structure (NEXAFS) spectra of the N2O adsorbed on the Cu(100) surface have been studied by multiple-scattering cluster (MSC) and self-consistent field DV-Xαmethods. It is shown that the N2O molecule is adsorbed on the hollow site with the adsorption height h = 3.0±0.1A. The MSC calculation confirmed by a DV-Xα analysis has revealed the physical cause of the weak feature in the NEXAFS spectra mentioned above, which originates from the $1s$ core electrons of the centre and terminal nitrogen atoms transiting into the unoccupied σ* orbital of the N2O molecule.
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| Keywords:
61.10.Ht
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Published: 01 August 2004
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