Magnetic properties of Fe nanoclusters: \pmb{ ab initio} calculations of Fe$\pmb{_{N}}$, N = 9, 15, 27, 51, and 59

G. López Laurrabaquio, M. Pérez Alvarez, J.M. Montejano-Carrizales, F. Aguilera-Granja, J.L. Morán-López


The magnetic properties of iron clusters (Fe$_{N}$, $N=9$, 15, 27, 51, and 59 atoms) at $T= 0$~K with bcc-like structure and bulk parameters are studied using ab initio methods. In these studies we consider the spin-orbit coupling and applied external magnetic fields. The basis set includes wave functions of the s, p, d, and f valence electrons. An analysis of the spin and orbital magnetic moments for every shell of the different cluster sizes is performed. The results obtained in the present work agree with other results reported in the literature and call for additional experiments.


Magnetic nanostructures; magnetic properties; {\it ab initio} calculations

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Revista Mexicana de Física

ISSN: 2683-2224 (on line), 0035-001X (print)

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