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Phys. Rev. B 68, 180406(R) (2003) [4 pages]

Magnetism in Mn clusters: Role of correlation effects

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Florentino López-Urías and Alejandro Díaz-Ortiz
Advanced Materials Department, Instituto Potosino de Investigación Científica y Tecnológica, A.C., Apartado Postal 3-74, Tangamanga, 78231 San Luis Potosí, SLP, Mexico

Received 25 March 2003; published 21 November 2003

The effects of the electronic correlations on metallic Mn13 icosahedral clusters are investigated in terms of single-band Hubbard model at half-band filling. The ground state, the spin-flip energy, and the two-body spin-correlation functions are calculated exactly using a Lanczos diagonalization scheme. Our theory provides a natural framework to understand the different density-functional magnetic arrangements for Mn13 clusters, recently predicted in the literature.

© 2003 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.68.180406
DOI:
10.1103/PhysRevB.68.180406
PACS:
75.10.Jm, 36.40.Cg