σ -bonding contribution of a strong π -acceptor molecule: Surface chemical bond of SO2 on Ni(100)

T. Tokushima, Keitaro Sodeyama, Yoshihisa Harada, Y. Takata, Mitsuru Nagasono, Yoshinori Kitajima, Y. Tamenori, H. Ohashi, Shinji Tsuneyuki, A. Hiraya, S. Shin

Research output: Contribution to journalArticlepeer-review

Abstract

We study the electronic structure and chemical bonding of the SO2 molecule adsorbed on Ni(100) surface using x-ray emission spectroscopy at the O1s absorption edge. Elemental and symmetry specificities of the method enable us to directly probe surface chemical bonding formed by strong hybridization of O2p with Ni3d orbital. Contrary to the expected π bonding due to strong π acceptor character of the SO2 molecule, we find electronic structures with both σ and π 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.

Original languageEnglish
Article number085405
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume78
Issue number8
DOIs
Publication statusPublished - 2008 Aug 6
Externally publishedYes

Subject classification (UKÄ)

  • Condensed Matter Physics

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