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Interatomic potential for the Cu-Ta system and its application to surface wetting and dewetting

: Hashibon, A.; Lozovoi, A.Y.; Mishin, Y.; Elsässer, C.; Gumbsch, P.

Postprint urn:nbn:de:0011-n-722039 (1.8 MByte PDF)
MD5 Fingerprint: 7ec12bfe075c196ddeaa8786eaf87004
Created on: 9.4.2009

Physical Review. B 77 (2008), No.9, Art. 094131, 9 pp.
ISSN: 0163-1829
ISSN: 1098-0121
ISSN: 0556-2805
ISSN: 2469-9950
Journal Article, Electronic Publication
Fraunhofer IWM ()
Cu-Ta system; crystal structure; wetting; dewetting

Interfaces between different phases are of significant fundamental interest and play an important role in many areas of technology. This is particularly true for interfaces between highly dissimilar phases of very different chemical composition and atomic structure. In this work, the Cu-Ta system studied is a good example of such dissimilar phases, since Cu and Ta have practically zero mutual solid solubility, have different crystal structures (fcc Cu versus bcc Ta), as well as highly different melting temperatures, mechanical strength, chemical reactivity, and many other properties. The Cu-Ta system is also relevant to microelectronic systems, since Ta thin films can be used diffusion barriers separating Cu conductor lines from the semiconductor substrate in integrated circuits.