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| Title: | ON THE ABSENCE OF KONDO RESONANCE FOR Co DIMERS ON A Cu (111) SURFACE | |
| DOI No: | 10.1142/9789812701879_0018 | |
| Source: | CLUSTERS AND NANO-ASSEMBLIES (pp 159-167) | |
| Author(s): | J.-L. HELFER
Institut de Physique des Nanostructures, École Polytechnique Fédérale de Lausanne, CH-1015 Lausanne, Switzerland F. A. REUSE Institut de Physique des Nanostructures, École Polytechnique Fédérale de Lausanne, CH-1015 Lausanne, Switzerland S. N. KHANNA Department of Physics, Virginia Commonwealth University, Richmond, Virginia 23284-2000, U.S.A. |
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| Abstract: | The electronic structure and the magnetic properties of Co atoms and Co2 adsorbed on a Cu(111) surface have been studied using an ab initio density functional approach that permits host and adatom relaxations. A single Co adatom is shown to be magnetic with a moment of 1.73 μB,as observed in recent experiments. The coupling between the adsorbed Co sites is shown to be ferromagnetic, and a Co2 on the surface has a magnetic moment of 3.72 μB that is comparable to its value in a free molecule. However, the formation of the dimer is shown to result in an increased separation of the Co atoms from the underlying surface, leading to a reduction of the host-adatom interaction. This reduced coupling leads to the disappearance of the Kondo resonance, as observed experimentally at a temperature of 6 K for an analogous system, namely Co on Au(111). | |
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