https://doi.org/10.1140/epjb/e20020088
Analysis of ground states of fcc thin film of binary alloy under confinement
Department of Physics, Tsinghua University, Beijing
100084, PR China
Corresponding author: a hliu00@mails.tsinghua.edu.cn
Received:
6
November
2001
Revised:
25
January
2002
Published online: 15 March 2002
In this paper, we have investigated the ground states
of a few-layered fcc thin film of binary alloy with two surfaces
in the (001) direction under symmetric surface confinement. The
phase diagram of the ground states is given according to the
energy analysis of binary alloy thin film composed of six atomic
layers in the (001) direction. Surface confinement field (SC
field) is introduced as a term to describe the confinement on
the two surfaces in the (001) direction. Using Monte Carlo
simulation, we have found that there are 17 different ground
states occurring when both SC field and chemical potential vary
from 
to 
. Antiphase boundary(APB) was found in
12 of the 17 ground states, and only nine configurations with
different symmetry were found among the 17 ground states.
PACS: 68.00.00 – Surfaces and interfaces; thin films and low-dimensional systems (structure and nonelectronic properties) / 81.30.Bx – Phase diagrams of metals and alloys / 61.66.Dk – Alloys
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 2002
