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

Deshpande, M. D. and Pandey, Ravindra and Blanco, Miguel A. 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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Abstract

We report the magnetic properties of small Ni13-nAln 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
Subjects:Material Science > Nanostructured materials
ID Code:8897
Deposited By:CSMNT
Deposited On:25 Aug 2010 08:51
Last Modified:25 Aug 2010 08:51

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