Deshpande, Ravindra and Blanco, Miguel and Khalkar, Arun (2010) Magnetic properties of Ni13-nAln clusters with n = 0-13. Journal of Nanoparticle Research, 12 (4). pp. 1129-1136.
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Official URL: http://dx.doi.org/10.1007/s11051-009-9654-6
Abstract
We report the magnetic properties of small clusters with n = 0â13 calculated in the framework of density functional theory. The cluster magnetic moment decreases with the sequential substitution of Ni by Al atoms, which can be attributed to a greater degree of hybridization that forces the pairing of the electrons in the molecular orbitals of Ni and Al. For Ni7Al6, the complete quenching of the cluster magnetic moment appears to be due to the antiferromagnetic alignment of atomic spins as revealed by the spin density plots.
| Item Type: | Article |
|---|---|
| ID Code: | 9149 |
| Deposited By: | Prof. Alexey Ivanov |
| Deposited On: | 13 May 2010 12:53 |
| Last Modified: | 13 May 2010 13:19 |
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