Luis Vega Orellana | Universidad Tecnica Particular de Loja (original) (raw)
Address: Loja, Loja, Ecuador
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Papers by Luis Vega Orellana
European Physical Journal D, 2007
We report a comparative study of the magnetic properties of free-standing PdN clusters (2 ≤ N ≤ 2... more We report a comparative study of the magnetic properties of free-standing PdN 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. PACS. 75.75.+a Magnetic properties of nanostructures -36.40.Cg Electronic and magnetic properties of clusters -75.50.-y Studies of specific magnetic materials
European Physical Journal D, 2007
We report a comparative study of the magnetic properties of free-standing PdN clusters (2 ≤ N ≤ 2... more We report a comparative study of the magnetic properties of free-standing PdN 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. PACS. 75.75.+a Magnetic properties of nanostructures -36.40.Cg Electronic and magnetic properties of clusters -75.50.-y Studies of specific magnetic materials