Structural evolution of free Co cluster magnetism

J.GUEVARA; ANA MARÍA LLOIS; F.AGUILERA-GRANJA; J.M. MONTEJANO-CARRIZALES

SOLID STATE COMMUNICATIONS

PERGAMON-ELSEVIER SCIENCE LTD

Lugar: Amsterdam; Año: 1999 vol. 111 p. 335 - 340

0038-1098

We present a systematic study of the average magnetic moments of free CoN clusters having different geometries: hexahedral, octahedral and decahedral. The spin-polarized electronic structure is calculated with a parameterized Hubbard Hamiltonian with spd electrons within the unrestricted Hartree?Fock approximation, and spillover effects are considered. We compare our calculations with other theoretical results found in the literature and we comment on the existing experimental results.