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1 May 2007

Volume 101, Issue 9, Articles (09xxxx)

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back to top Electronic Structure, Itinerant Magnetism

First-principles study on the spin polarization of benzene adsorbed on Fe(100) surface

X. Sun, T. Suzuki, M. Kurahashi, J. W. Zhang, and Y. Yamauchi

J. Appl. Phys. 101, 09G526 (2007); http://dx.doi.org/10.1063/1.2714673 (3 pages)

Online Publication Date: 7 May 2007

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Show Abstract
In this paper, we investigate the spin-resolved electronic states and spin polarization of the benzene adsorbed Fe(100) surface using density functional theory. The existence of the adsorbate-induced π* state and backdonation of the electrons have been demonstrated clearly by the differential charge densities. The calculated plane-averaged density of states of benzene∕Fe(100) in the vacuum side is found to be consistent with the experimental result of spin asymmetry in the spin-polarized metastable-atom deexcitation spectra for pentacene consisting of five benzene rings adsorbed Fe(100) surface.
Show PACS
68.47.De Metallic surfaces
72.25.-b Spin polarized transport
73.20.At Surface states, band structure, electron density of states
68.43.Mn Adsorption kinetics
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