Author/Authors :
Pereiro، نويسنده , , M and Manʹkovsky، نويسنده , , S and Baldomir، نويسنده , , D and Iglesias، نويسنده , , M and Mlynarski، نويسنده , , P and Valladares، نويسنده , , M and Suarez، نويسنده , , D and Castro، نويسنده , , M and Arias، نويسنده , , Juan E، نويسنده ,
Abstract :
The results of self-consistent nonlocal generalized gradient approximation (GGA) density functional calculations are reported for small cobalt clusters Con (2⩽n⩽5). An emphasis is made on a proper treatment of exchange and correlation effects. The enhancement of the magnetic moments as well as the bonding properties of these clusters are discussed in terms of the cluster size and symmetry. We compare some results from deMon–KS (D) module release 3.2 and the computational scheme of Sambe–Felton and Dunlap (SFD).
