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Ab initio molecular dynamics simulation is used to study the structure andelectronic properties of the liquid Ga-Se system at the three compositionsGa$_2$Se, GaSe and Ga$_2$Se$_3$, and of the GaSe and Ga$_2$Se$_3$ crystals. Thecalculated equilibrium structure of GaSe crystal agrees well with availableexperimental data. The neutron-weighted liquid structure factors calculatedfrom the simulations are in reasonable agreement with recent neutrondiffraction measurements. Simulation results for the partial radialdistribution functions show that the liquid structure is closely related tothat of the crystals. A close similarity between solid and liquid is also foundfor the electronic density of states and charge density. The calculatedelectronic conductivity decreases strongly with increasing Se content, inaccord with experimental measurements.Comment: REVTeX, 8 pages and 12 uuencoded PostScript figures, submitted to  Phys. Rev. B. corresponding author: j.m.holender@keele.ac.u

Composition dependence of the structure and electronic properties of liquid Ga-Se alloys studied byabinitiomolecular dynamics simulation