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Structural,energetic and Magnetic Properties of Small Cuni Clusters: Cuni Clusters of (Cuxniy Where X+y=2-11) Within the Frame Work of Density Functional Formalism
Tewodros Eyob Ada
Structural,energetic and Magnetic Properties of Small Cuni Clusters: Cuni Clusters of (Cuxniy Where X+y=2-11) Within the Frame Work of Density Functional Formalism
Tewodros Eyob Ada
In this book we have investigated the structures,energetics and magnetic properties of CuxNiy clusters(where x+y=2-11)within the frame work of density functional formalism. The calculated results show that Ni-Ni distance is the cause for the stability and structure of the clusters. The ferro-magnetism of cluster found to be depend on Ni-Ni distance, HOMO-LUMO band gap,coordination of Ni-Ni atoms and hybridization of Cu-s and Ni-d for larger clusters. This study reveals that some of the CuxNiy clusters considered to have a substantial higher HOMO-LUMO gap(0.66-2.36eV) ofspin-up electrons as compared to that of spin-down (0.00-0.32eV) electrons may be interesting consequences in the case of the spin-polarized transport,where there will be no conductance for spin-up electrons in such Cu-Ni clusters and could be considered as potential candidates in spintronics and sensors.
Medios de comunicación | Libros Paperback Book (Libro con tapa blanda y lomo encolado) |
Publicado | 25 de abril de 2013 |
ISBN13 | 9783659385643 |
Editores | LAP LAMBERT Academic Publishing |
Páginas | 68 |
Dimensiones | 150 × 4 × 225 mm · 113 g |
Lengua | English |
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