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Computer Simulation of Surface Diffusion of Copper on Copper (111) and (100) Surfaces

Published online by Cambridge University Press:  21 February 2011

J. Takano ,
M. Mochizuki  and
Masao Doyama
J. Takano
Affiliation:
The Nishi-Tokyo University, Uenohara, Yamanashi 409–01 Japan
M. Mochizuki
Affiliation:
The Nishi-Tokyo University, Uenohara, Yamanashi 409–01 Japan
Masao Doyama
Affiliation:
The Nishi-Tokyo University, Uenohara, Yamanashi 409–01 Japan
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Abstract

The binding energies of a copper adatom and its cluster to the copper (111) surface have been calculated. The binding energy EN of an N-adatom cluster can be roughly written as EN = 3NE1 + mE2, where 3N1 is the binding energy of a single adatom to the (111) surface and m is the number of bonds within the cluster and E2is the binding energy of the bond within the cluster. It was found that E1 = 0.87 eV and E2 = 0.40 – 0.32 eV. The activation energies of motion of these adatom clusters and vacancies and di vacancies on copper (111) and (100) surfaces have been calculated by use of n-body embedded atom potentials and molecular dynamics.

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References

REFERENCES

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