Article ID Journal Published Year Pages File Type
5425900 Surface Science 2006 8 Pages PDF
Abstract

The magnetic structure of Cr/V systems is investigated at T = 0 K using real-space tight-binding approach. The magnetism is described in the Hartree-Fock approximation of the Hubbard Hamiltonian and the density of states is calculated within the recursion technique. It is found that the hybridization of the V and Cr d-bands, the change in the lattice constant, the kind and the number of coordination play important roles in determining the magnetism of Cr and V atoms.It is also found, that the magnetic moments of Cr, and the induced magnetic moments on V atoms have the maximum value at (0 0 1) orientation, followed by (1 1 1) orientation, and the least at (0 1 1) orientation, due to the coordination.

Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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