M. Katagiri et al., THE DYNAMICS OF SURFACES OF METALLIC AND MONOLAYER SYSTEMS - EMBEDDED-ATOM MOLECULAR-DYNAMICS STUDY, Materials science & engineering. A, Structural materials: properties, microstructure and processing, 217, 1996, pp. 112-115
We present the anharmonicity and roughening of cu surfaces derived fro
m the derivatives of the layer spacings and the surface energies with
respect temperature using the embedded-atom molecular dynamics method.
The anharmonicity and roughening of the Cu(110) surface stared to inc
rease rapidly around 600 K and 1000 K respectively. In addition, we pr
esent the dependence of th surface energy on the temperature of the he
teroepitaxial Au/Ag(110) system. The slope of the surface energy was f
ound to be less pronounced compared with that of the free Ag(110) surf
ace system.