Mag netic properties of $$\hbox{Ni}_{13- n}\hbox{Al}_ n$$ clusters with n = 0–13 |
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| Authors: | M D Deshpande Ravindra Pandey Miguel A Blanco and Arun Khalkar |
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| Institution: | 1.Michigan Technological University,Houghton,USA;2.Departmento de Química Física y Analítica,Universidad de Oviedo,Oviedo,Spain;3.Department of Physics,H.P.T. Arts and R.Y.K. Science College,Nasik,India |
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| Abstract: | We report the magnetic properties of small Ni13-nAln\hbox{Ni}_{13-n}\hbox{Al}_n 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. |
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