Longitudinal density distribution in the liquid-vapor interface of a dilute alloy of Tl in Ga

Journal Article · Tue Mar 01 04:00:00 EST 2005 · Physical Review. B, Condensed Matter and Materials Physics

DOI:https://doi.org/10.1103/PhysRevB.71.104203· OSTI ID:20666237

Xu, Jiang; Meishan, Zhao; Rice, Stuart A ^[1]

---

1. The James Franck Institute and Department of Chemistry, University of Chicago, Chicago, Illinois 60637 (United States)

We report the results of self-consistent Monte Carlo simulations of the density distribution along the normal to the liquid-vapor interface of a dilute binary alloy of Tl in Ga. The results of the simulation are in agreement with those obtained from experimental studies reported by Yang et al. [Phys. Rev. E 67, 212103 (2003)]. In particular, our calculations reproduce the positions and relative amplitudes of the density strata in the liquid-vapor interface and the finding that the excess Tl forms a complete monolayer that is its outermost layer. The amplitudes of the density oscillations are overestimated by the simulations, which we attribute in part to the small size of the surface of the simulation sample and in part to residual inaccuracies in the pseudopotential employed.

• OSTI ID: 20666237
• Journal Information: Physical Review. B, Condensed Matter and Materials Physics, Journal Name: Physical Review. B, Condensed Matter and Materials Physics Journal Issue: 10 Vol. 71; ISSN 1098-0121
• Country of Publication: United States
• Language: English

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
BINARY ALLOY SYSTEMS
COMPUTERIZED SIMULATION
DILUTE ALLOYS
DISTRIBUTION
GALLIUM ALLOYS
INTERFACES
LAYERS
LIQUIDS
MONTE CARLO METHOD
THALLIUM ALLOYS
VAPORS