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Anglický jazyk
Structural,energetic and magnetic properties of small CuNi clusters
Autor: 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... Viac o knihe
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O knihe
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.
- Vydavateľstvo: LAP LAMBERT Academic Publishing
- Rok vydania: 2013
- Formát: Paperback
- Rozmer: 220 x 150 mm
- Jazyk: Anglický jazyk
- ISBN: 9783659385643
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