Stability and magnetic behavior of small Co x Sn y (x %2b y ≤ 5) atomic clusters
Article
-
- Overview
-
- Research
-
- Identity
-
- Additional Document Info
-
- View All
-
Overview
abstract
-
We report the results of the study of equilibrium structures, magnetic properties and stability of small free CoxSny clusters with x%2by≤5 within the framework of density functional theory as implemented in SIESTA code. We find that optimized structures of these binary clusters prefer geometries with high coordinations and show significant variations as compared to that of the pure clusters; all the clusters show magnetic behavior independently of the Co concentration; the excess energy reveals a favorable mixing of the constituent atoms. © 2015 Published by Elsevier B.V.
publication date
published in
Research
keywords
-
DFT calculations; Magnetization; Mixing atoms; Nanoalloys; Stability Atoms; Cobalt; Convergence of numerical methods; Density functional theory; Magnetization; Mixing; Tin; Atomic clusters; Binary clusters; CO concentrations; DFT calculation; Equilibrium structures; Magnetic behavior; Nano-alloys; Optimized structures; Cobalt compounds
Identity
Digital Object Identifier (DOI)
Additional Document Info
start page
end page
volume