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: Contribución a una revistaArtículo

24 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 originalInglés
Páginas (desde-hasta)125-131
Número de páginas7
PublicaciónEuropean Physical Journal D
Volumen44
N.º1
DOI
EstadoPublicada - jul 2007

Áreas temáticas de ASJC Scopus

  • Física y astronomía (todo)
  • Óptica y física atómica y molecular

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