We report systematic spin-polarized ab initio calculations for the electronic structure and magnetic moments of 4d (Mo,Tc,Ru,Rh,Pd) and 5d (Re,Os,Ir) transition-metal overlayers on a Ag(111) surface. Allowing for ferromagnetic ordering, nonvanishing magnetic moments were calculated for Ru (1.23μB) and Rh (0.67μB) among the 4d metals and for Ir (0.05μB) among the 5d series. These results are compared to corresponding calculations for 4d and 5d overlayers on a Ag(100) surface and buried (100) interlayers in bulk Ag. On the basis of these results we discuss the dependence of magnetism of monolayers on substrate orientation and local atomic coordination.
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Redinger et al. (1995) studied this question.
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