ListarDivisión de Nanociencias y Materiales por tema "ab initio calculations"

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    • Magnetic properties of Fe nanoclusters: ab initio calculations of FeN N = 9,15, 27, 51, and 59 

      López Laurrabaquio, Guadalupe; Pérez Alvarez, Mario; Montejano Carrizales, Juan Martín; Aguilera Granja, Juan Faustino; Morán López, José Luis (Sociedad Mexicana de Física, A. C., 2006)
      "The magnetic properties of iron clusters (FeN, 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 ...