Topology of amorphous gallium arsenide on intermediate length scales: A molecular dynamics study

Structural correlations in amorphous gallium arsenide are investigated with molecular-dynamics simulations using a new interatomic potential function. The calculated static structure factor, in particular the height and width of the first peak which is a signature of the intermediate-range correlati ons, is in excellent agreement with x-ray diffraction experiments. Atomisti c topology on intermediate length scales is elucidated through the analyses of shortest-path rings, partial static structure factors, and bond-angle d istributions. The calculated energy difference between crystalline and amor phous systems is also in good agreement with electronic-structure calculati ons. (C) 2000 American Institute of Physics. [S0021-8979(00)09511-6].