Nano Archive

Magnetic properties of Ni13-nAln clusters with n = 0-13

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 = 0–13 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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