Density distribution in the liquid-vapor interface of a dilute alloy of Pbin Ga - art. no. 085409

This paper is concerned with the calculation of the density distribution al ong the normal in the liquid-vapor interface of a dilute alloy of Ph in Ga. The results of self-consistent quantum Monte Carlo simulations of that dis tribution are in good agreement with the experimentally inferred distributi on. In particular, the simulations reproduce the finding that the excess Pb in the liquid-vapor interface forms a monolayer that is the outermost stra tum of the interface. However, the 1000-atom simulation sample has a cross section of only 70 atoms, so the area of the liquid-vapor interface in thes e simulations is too small to permit development of long-range translationa l order in the Pb monolayer. and the simulations do not reproduce the exper imental finding of hexagonal crystalline order in that monolayer.