X-ray absorption near-edge structure of adsorbate-induced reconstruction: (2 × 1)O on Cu(110)

Abstract

We present O K-edge near-edge absorption spectra for (2 sx 1)O on Cu(110) and accompanying multiple-scattering calculations for models with an unreconstructed substrate and with missing-row and saw-tooth adsorbate-induced reconstructions. The calculated NEXAFS has been analysed to assess the importance of multiple scattering as a function of the azimuthal angle of the electric field vector, and to identify the dominant structure-sensitive multiple-scattering paths. We find strong support for an oxygen-induced reconstruction of the Cu(110) substrate, though an unequivocal resolution between the missing-row and saw-tooth models must await further measurements.