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Molecular Dynamics Modeling of Growth, Micro-Structure and Stresses in Sputter-Deposited Films with Impurity Atom Incorporation

Published online by Cambridge University Press:  25 February 2011

C. C. Fang ,
F. Jones  and
V. Prasad
C. C. Fang
Affiliation:
Department of Mechanical Engineering, Columbia University, New York, NY 10027.
F. Jones
Affiliation:
Thomas J. Watson Research Center, IBM, Yorktown Heights, NY 10598.
V. Prasad
Affiliation:
Department of Mechanical Engineering, Columbia University, New York, NY 10027.
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Abstract

The structure and intrinsic stresses of sputter-deposited thin films are studied via a two-dimensional molecular dynamics (MD) model. Two body potentials are used to represent the interaction between film atoms, substrate atoms, ions and argon molecules. First, a nearly perfect substrate having zero stress is constructed using constant temperature and constant pressure algorithms. Then the film is deposited with and without in-situ argon ion bombardment and with and without an argon background gas; a source of impurities. The adatom energy is varied in order to investigate its influence on the film structure. During the simulation the film is allowed to expand and contract depending on the intrinsic stresses. The models demonstrate, for the first time, that the transition from large tensile to large compressive stresses in sputter deposited thin films is caused by the incorporation of tightly packed argon impurity atoms, achieved only at sufficiently high levels of argon ion bombardment and nickel adatom energies.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 280: Symposium B – Evolution of Surface and Thin Film Microstructure , 1992 , 463
Copyright
Copyright © Materials Research Society 1993

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References

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