Kondo behavior of anisotropic single atomic spins on a Cu2 N molecular layer
Fitting ab initio total energies, obtained within the generalized gradient approximation with spin-orbit coupling and a correction that includes Coulomb repulsion, we calculate the anisotropy parameters D and E of an effective spin model that describes 3d magnetic impurities separated from the Cu(10...
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| Autores principales: | , |
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2010
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| Acceso en línea: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_10980121_v82_n12_p_Barral http://hdl.handle.net/20.500.12110/paper_10980121_v82_n12_p_Barral |
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| Sumario: | Fitting ab initio total energies, obtained within the generalized gradient approximation with spin-orbit coupling and a correction that includes Coulomb repulsion, we calculate the anisotropy parameters D and E of an effective spin model that describes 3d magnetic impurities separated from the Cu(100) surface by a monolayer of Cu2 N. Assuming a general exchange interaction between conduction and 3d electrons we construct an effective Kondo model which depends on D and E. We discuss the specific cases for Mn, Fe, and Co impurities. © 2010 The American Physical Society. |
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