The structure of the liquid-vapor interface of a gallium-tin binary alloy

Authors
Citation
Ms. Zhao et Sa. Rice, The structure of the liquid-vapor interface of a gallium-tin binary alloy, J CHEM PHYS, 111(5), 1999, pp. 2181-2189
Citations number
31
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL PHYSICS
ISSN journal
00219606 → ACNP
Volume
111
Issue
5
Year of publication
1999
Pages
2181 - 2189
Database
ISI
SICI code
0021-9606(19990801)111:5<2181:TSOTLI>2.0.ZU;2-H
Abstract
We report the results of self-consistent quantum Monte Carlo simulations of the structure of the liquid-vapor interface of the alloy Sn0.09Ga0.81. Our calculations are in very good agreement with the experimental results repo rted by Lei, Huang and Rice [J. Chem. Phys. 107, 4051 (1997)]. In particula r, our calculations confirm the experimentally inferred existence of a part ial second layer of Sn below the complete outermost layer of Sn in the stra tified liquid-vapor interface of this alloy. (C) 1999 American Institute of Physics. [S0021-9606(99)70228-X].