Phys. Rev. B 68, 201403(R) (2003) [4 pages]Hydrogen effect on adhesion and adhesive transfer at aluminum/diamond interfaces
Using a first principles methodology, we find that Al(111)/C(111)-1×1 is energetically favored over Al(111)/C(111)-2×1 even though reconstructed diamond is the stable surface structure. Overlapping Al and diamond p states at the unreconstructed interface result in strong adhesion, which leads to an adhesive transfer of two Al layers to the diamond during progressive tensile straining. Decohesion occurs as a jump-to-separate process once the interfacial strength is exceeded. Hydrogen passivation of the diamond leads to negligible adhesion and no transfer of Al. © 2003 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevB.68.201403
DOI:
10.1103/PhysRevB.68.201403
PACS:
68.35.Gy
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