Abstract
We study the electronic structure and chemical bonding of the molecule adsorbed on Ni(100) surface using x-ray emission spectroscopy at the absorption edge. Elemental and symmetry specificities of the method enable us to directly probe surface chemical bonding formed by strong hybridization of with orbital. Contrary to the expected bonding due to strong acceptor character of the molecule, we find electronic structures with both and characters just below the Ni Fermi level. The details of this complicated surface chemical bonding are discussed using a calculation based on density-functional theory.
- Received 25 June 2008
DOI:https://doi.org/10.1103/PhysRevB.78.085405
©2008 American Physical Society