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First-Principles Study of Mechanical Properties of Alumina-Copper Nano-Coating Interfaces

Published online by Cambridge University Press:  01 February 2011

Shingo Tanaka ,
Rui Yang  and
Masanori Kohyama
Shingo Tanaka
Affiliation:
Research Institute for Ubiquitous Energy Devices, National Institute of Advanced Industrial Science and Technology (AIST), Ikeda, Osaka 563–8577, Japan.
Rui Yang
Affiliation:
Department of Computer Science, Faculty of Engineering and Information Technology Australian National University, Canberra, ACT 0200, Australia.
Masanori Kohyama
Affiliation:
Research Institute for Ubiquitous Energy Devices, National Institute of Advanced Industrial Science and Technology (AIST), Ikeda, Osaka 563–8577, Japan.
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Abstract

Mechanical properties of alumina-copper nano-coating interfaces have been studied by the first-principles calculations. We have applied the rigid-type first-principles tensile tests for O-rich (O-terminated) and stoichiometric (Al-terminated) interfaces and for back Cu1st-Cu2nd interlayers. The O-terminated interface is twice as strong as the Cu1st-Cu2nd interlayer whereas the Al-terminated interface is twice as weak as the Cu1st-Cu2nd interlayer. We have performed the fitting of interlayer potentials by universal binding-energy relation (UBER). The interlayer potential of the Cu-Al interface is well reproduced by UBER in whole region, although those of Cu-O interface and Cu1st-Cu2nd interlayer are partially reproduced.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 843: Symposium T – Surface Engineering-Fundamentals and Applications , 2004 , T3.10
Copyright
Copyright © Materials Research Society 2005

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References

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