The induced surface resistivity rho_s of 3d adatoms is calculated on a semi-infinite Al-like jellium within the density-functional theory in the local-spin-density approximation (LSDA). The unexpected nonmonotonic behavior of rho_s , as function of the position of the atoms with respect to the surface, recently found for most of 3d adatoms in calculations without spin polarization in the local-density approximation (LDA), is confirmed. However, the intensity and the dependence on the atomic number of rho_s is modified by the LSDA in a significant way. At the equilibrium adsorption site on clean Al, the largest resistivity is found for Fe, not for Cr, which is different from the LDA results. The relationship between the maxima of rho_s , the magnetic moment and the density of states induced by the adatom on the surface is discussed.
Induced resistivity of magnetic impurities in the proximity of a metal surface
Trioni MI;
2002
Abstract
The induced surface resistivity rho_s of 3d adatoms is calculated on a semi-infinite Al-like jellium within the density-functional theory in the local-spin-density approximation (LSDA). The unexpected nonmonotonic behavior of rho_s , as function of the position of the atoms with respect to the surface, recently found for most of 3d adatoms in calculations without spin polarization in the local-density approximation (LDA), is confirmed. However, the intensity and the dependence on the atomic number of rho_s is modified by the LSDA in a significant way. At the equilibrium adsorption site on clean Al, the largest resistivity is found for Fe, not for Cr, which is different from the LDA results. The relationship between the maxima of rho_s , the magnetic moment and the density of states induced by the adatom on the surface is discussed.File | Dimensione | Formato | |
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