|
Repositorio Atenea de la Facultad de Ciencias, UNAM >
Repositorio Ciencias >
FACULTAD DE CIENCIAS >
Física >
Please use this identifier to cite or link to this item:
http://hdl.handle.net/11154/2183
|
Title: | Theoretical study of bimetallic magnetic nanostructures: ConPdN-n, n=0,1,...N, N=3,5,7,13 |
Authors: | Montejano-Carrizales, JM Aguilera-Granja, F Cantera-López, H Moran-López, JL |
Issue Date: | 2010 |
Abstract: | The geometrical structure, atomic ordering, electronic and magnetic properties of closed shell Co-n PdN-n for n=0, 1, ...,N, and N=3, 5, 7 and 13, have been studied. The whole set of values for N and n, as well as most of the isomers were analyzed. The electronic, magnetic, and structural characteristics were calculated within the density functional theory by means of the SIESTA code using the generalized gradient approximation of Perdew-Burke-Ernzerhof for the exchange and correlation potential. The lowest energy geometries obtained were the triangle, hexahedron, decahedron, and icosahedron. We also performed calculations assuming noncollinear magnetic moment arrangements, but the lowest energy configurations correspond to the collinear geometry. Finally we analyze in detail the chemical order between the two components in the cluster and its influence in the magnetic order. |
URI: | http://hdl.handle.net/11154/2183 |
ISSN: | 1434-6060 |
Appears in Collections: | Física
|
Files in This Item:
There are no files associated with this item.
|
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.
|