Magnetic properties of Ni < inf> 13-n Al < inf> n clusters with n = 0-13
Document Type
Article
Publication Date
5-2010
Department
Department of Physics
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.
Publication Title
Journal of Nanoparticle Research
Recommended Citation
Deshpande, M.,
Pandey, R.,
Blanco, M.,
&
Khalkar, A.
(2010).
Magnetic properties of Ni < inf> 13-n Al < inf> n clusters with n = 0-13.
Journal of Nanoparticle Research,
12(4), 1129-1136.
http://doi.org/10.1007/s11051-009-9654-6
Retrieved from: https://digitalcommons.mtu.edu/michigantech-p/4969