Abstract
The structural properties of the liquid gallium arsenides have been studied using the molecular dynamics (MD) method. Simulations were done in the basic cube under periodic boundary conditions containing 3000 ions for Ga 50As 50, Ga 66.67As 33.33 and Ga 33.33As 66.67 models. The microstructure of the systems has been analyzed through the partial radial distribution functions (PRDF), coordination number distributions, bond-angle distributions, inter-atomic distances, and ring statistics. The evolution of structure upon cooling from the melt of Ga n As m was observed and discussed. We found that calculated data agree well with the experimental ones and with those obtained previously in other simulation works.
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