Monte Carlo study of liquid GaAs: Bulk and surface properties

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Abstract
We model the bulk and surface behavior of liquid GaAs, using a combination of two-body and three-body potentials of the form proposed by Stillinger and Weber. Following our recent work on CdTe, we fit the parameters of the potential to bulk and molecular atomization energies, lattice constants, and melting temperatures. The calculated pair radial distribution agrees very well with experiment. The elastic constants, surface tension, and heat of fusion also show reasonable agreement with reported experimental values.