Abstract
The Monte Carlo study of the liquid and amorphous Ni 66B 34, Ni 80B 20 and Fe 80B 20 alloys is presented for the radial distribution functions (rdf), Voronoi tesselation and partial bond-orientational order parameters Q l and W l in comparison with crystal and Penrose lattices. The presence of direct B-B contact in Ni 66B 34 and other systems may correspond to the “packing frustration”. The calculated electronic structure for the crystalline Ni 2B is the covalent p-d bonding of B 2p-electrons with Ni 3d-electrons on the Fermi level with relatively high density of states.
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