Abstract
The atomic structure, glass forming ability (GFA) and magnetic properties of Co-based (Co80P14B6, Co80P13C7 and Co80B14C6) amorphous alloys were studied by ab initio molecular dynamics simulations. We have analyzed the local atomic structures in the liquid (at 1600K) and glass state (at 300K) by pair distribution functions (PDFs), Voronoi Polyhedra (VPs) and bond pair (BPs) analyses. The VPs and PDFs analyses suggest that the GFA of the three Co-based alloys increases in the order of Co80B14C6, Co80P13C7 and Co80P14B6. And the BPs analysis uncovers that the three Co-based amorphous structures are mainly composed of perfect and distorted icosahedral BPs such as 1541, 1551 and 1431. We also have calculated the contribution of Co atoms and metalloid elements (B, P, C) to the average magnetic moment of these amorphous alloys based on the density of state (DOS) analysis.
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