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.
2004, Vol. 21 
