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Spin-polarized surface states close to adatoms on Cu(111)

B. Lazarovits·L. Szunyogh·P. Weinberger
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Abstract

We present a theoretical study of surface states close to 3d transition metal adatoms (Cr, Mn, Fe, Co, Ni and Cu) on a Cu(111) surface in terms of an embedding technique using the fully relativistic Korringa-Kohn-Rostoker method. For each of the adatoms we found resonances in the s-like states to be attributed to a localization of the surface states in the presence of an impurity. We studied the change of the s-like densities of states in the vicinity of the surface state band-edge due to scattering effects mediated via the adatom's d-orbitals. The obtained results show that a magnetic impurity causes spin-polarization of the surface states. In particular, the long-range oscillations of the spin-polarized s-like density of states around an Fe adatom are demonstrated.

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B. Lazarovits, L. Szunyogh, P. Weinberger. 2005-07-28. Spin-polarized surface states close to adatoms on Cu(111). https://doi.org/10.1103/physrevb.73.045430

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