Abstract
The first principle discrete variational method in the spin polarized local density approximation is used to calculate the local properties of 15 atom clusters representing variable crystal size bcc vanadium. Four distinct magnetic configurations are recognized as the lattice constant varies from 5.4 to 8.4 (a.u). At the lowest end, the clusters are paramagnetic (PM) whereas at the upper end, clusters are ferromagnetic (FM). In between, antiferromagnetic couplings prevail. The local magnetic moment increases, in a fashion not unlike second order transitions, from zero in the PM range to nonzero in the AFM region. Transitions between other phases are first order. The systematics of these transitions are ascribed to the general shape of the density of states. The contact magnetic hyperfine field, charge density, and 3d partial occupations at the central sites are also calculated.
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