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Sosa Hernández, E. M.; Alvarado Leyva, P. G.; Montejano Carrizales, J. M.; Aguilera Granja, F.
Tipo
Artículo de Investigación
Área del conocimiento
Físico Matemáticas y Ciencias de la Tierra
Título
Size effects on the magnetism of vanadium clusters
Fecha
2004-01-01
Resumen
The magnetism of free vanadium clusters (VN , 2 ≤ N ≤ 169) with a bcc-like structure is studied using a d electron tight binding Hamil-tonian. The spin polarized density of states is calculated self-consistently in the unrestricted Hartree-Fock approximation. We have foundthat the free V clusters shown different magnetic behavior depending on their size. Results for the local magnetic moments, μi, averagemagnetic moment, μ ̄, and the magnetic order at T = 0 are obtained as a function of N. For the VN clusters μ ̄ varies as a function of N dueto the interplay between the changes in coordination number and local environment; for N ≤ 4 the ground state is ferromagnetic whereasfor N ≥ 9 the ground state is mainly antiferromagnetic in agreement with ab initio and tight binding calculations, respectively. In the caseof large size clusters the local magnetic moments of most of the internal atomic shells vanish to avoid local frustrations leading the system inthis way to very small magnetic moment as the cluster size increases.
Tema
Local magnetic moments; magnetic order; compiting magnetic interactions
Idioma
eng
ISSN
2683-2224 (digital); 0035-001X (impresa)
