Magnetic properties of Pd atomic clusters from different theoretical approaches

F. Aguilera-Granja, A. Vega, J. Rogan, W. Orellana, G. García

Resultado de la investigación: Article

22 Citas (Scopus)

Resumen

We report a comparative study of the magnetic properties of free-standing Pd N clusters (2 ≤ N ≤ 21) obtained through two different theoretical approaches that are extensively employed in electronic structure calculations: a semi-empirical Tight-Binding (TB) model and an ab-initio DFT pseudopotential model. Conclusions are drawn about the reliability of the TB model for the investigation of the electronic structure and magnetic properties of such complex 4d Transition Metals (TM) systems and we compare the results with previous systematic DFT calculations and comment on some available experiments in the literature.

Idioma originalEnglish
Páginas (desde-hasta)125-131
Número de páginas7
PublicaciónEuropean Physical Journal D
Volumen44
N.º1
DOI
EstadoPublished - jul 2007

Huella dactilar

atomic clusters
magnetic properties
electronic structure
pseudopotentials
transition metals

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Atomic and Molecular Physics, and Optics

Citar esto

Aguilera-Granja, F. ; Vega, A. ; Rogan, J. ; Orellana, W. ; García, G. / Magnetic properties of Pd atomic clusters from different theoretical approaches. En: European Physical Journal D. 2007 ; Vol. 44, N.º 1. pp. 125-131.
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Magnetic properties of Pd atomic clusters from different theoretical approaches. / Aguilera-Granja, F.; Vega, A.; Rogan, J.; Orellana, W.; García, G.

En: European Physical Journal D, Vol. 44, N.º 1, 07.2007, p. 125-131.

Resultado de la investigación: Article

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