Is the trend of the polarizability per atom for all small 3d transition metal clusters the same? The case of Nin (n< or =5) clusters.
The first theoretical study on static polarizability and polarizability anisotropy of small nickel clusters up to the pentamer is presented. All-electron-type calculations were performed using a finite field approach as implemented in the density functional program deMon2K. A newly developed first-order field-induced basis set for density functional calculations was employed. For the static polarizability per atom of these clusters, a different trend to the one reported in the literature for other transition metal cluster systems of similar size, is observed.
Calaminici
Patrizia
P
Departamento de Quimica, CINVESTAV, Av. Instituto Politecnico Nacional 2508, A.P. 14-740, Mexico D.F. 07000, Mexico. pcalamin@cinvestav.mx