AB-INITIO MOLECULAR-DYNAMICS SIMULATIONS OF LIQUID GAAS

We report results for the electronic, structural and dynamical propert ies of liquid GaAs simulated by using ab initio molecular dynamics. Re sults for the total and partial structure factors, self-diffusion prop erties, pair correlation and angular distribution functions, and the e lectronic density of states are presented. Our calculated structure fa ctor and pair correlation functions are in good agreement with availab le experimental data. A ''common neighbor'' cluster analysis is used t o examine the structure of the liquid. (C) 1998 American Institute of Physics. [S0021-9606(98)50341-8].