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.
Trioni, M., Ishida, H., Brivio, G. (2002). Induced resistivity of magnetic impurities in the proximity of a metal surface. PHYSICAL REVIEW. B, CONDENSED MATTER AND MATERIALS PHYSICS, 65(12), 1254131-1254134 [10.1103/PhysRevB.65.125413].
Induced resistivity of magnetic impurities in the proximity of a metal surface
BRIVIO, GIANPAOLO
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.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.