Abstract
The magnetic properties of small Cu n TM clusters ( n = 3−7, 12, TM = Ru, Rh, Pd) have been studied using a linear combination of the atomic orbital approach with the density functional formalism, and the Kohn-Sham equation is solved self-consistently using the discrete variational method (DVM). It is found that the magnetic moments of Rh in the D 3h structure and Ru in the T d structure are quenched to zero (we call this phenomenon the symmetry-quenching effect). It is also found that Ru and Rh are magnetic (except for symmetry-quenching), and Pd is nearly nonmagnetic. The effects of symmetry, coordination number and atomic distance on the magnetic moments of 4d impurities are discussed.
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