Quantum Monte Carlo simulations of the structure in the liquid-vapor interface of BiGa binary alloys

摘要

We report the results of self-consistent quantum Monte Carlo simulations of the structure of the liquid-vapor interface of a dilute alloy of Bi in Ga. The results of the simulations are shown to be in good agreement with the results of experimental studies of the structure of the liquid-vapor interface of such an alloy reported by Lei, Huang, and Rice [J. Chem. Phys. 104, 4802 (1996), who determined the longitudinal density distribution] and by Flom ct al. [Science 260, 332 (1993), who determined the transverse pair structure function]. (C) 1998 American Institute of Physics. [References: 41]