title: Fundamental influence of C on adhesion of the Al2O3/Al interface.
abstract: Our first-principles computations indicate that the clean Al2O3/Al interface is relatively weak-weaker than bulk Al. Fracture experiments reveal that the interface is relatively strong with observed failure in bulk Al, however. This paradox is resolved via doping effects of the common impurity C. We have found that only 1/3 of a monolayer of carbon segregated to the interface can increase the work of separation by a factor of 3. The resulting strong interface is consistent with fracture experiments. It arises due to void formation in the interface, which provides low-strain sites for the carbon to segregate to. The degree of void formation is consistent with the relatively high heat of oxide formation of Al.
authors.affiliation: Delphi Research Labs, Shelby Township, Michigan 48316, USA.
authors.forename: Xiao-Gang
authors.initials: XG
authors.lastname: Wang
authors.forename: John R
authors.initials: JR
authors.lastname: Smith
authors.forename: Anthony
authors.initials: A
authors.lastname: Evans