Adhesion at the interfaces between BCC metals and {alpha}-Al{sub 2}O{sub 3}

Journal Article · Wed Feb 15 00:00:00 EST 2012 · Journal of Experimental and Theoretical Physics

DOI:https://doi.org/10.1134/S1063776111160138· OSTI ID:22027916

Kulkova, S E ^[1]

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1. Russian Academy of Sciences, Institute of Strength Physics and Materials Science, Siberian Branch (Russian Federation)

Ab initio calculations of the atomic and electronic structures of Me(111)/{alpha}-Al{sub 2}O{sub 3}(0001) interfaces (Me = V, Cr, Nb, Mo, Ta, W) in the framework of density functional theory are reported. The energies of separation of metal films from oxide surfaces have been calculated. The structural and electronic factors responsible for the strong adhesion of bcc metal films on the oxygen termination of the surface of aluminum oxide have been analyzed.

• OSTI ID: 22027916
• Journal Information: Journal of Experimental and Theoretical Physics, Vol. 114, Issue 2; Other Information: Copyright (c) 2012 Pleiades Publishing, Ltd.; Country of input: International Atomic Energy Agency (IAEA); ISSN 1063-7761
• Country of Publication: United States
• Language: English

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ADHESION
ALUMINIUM OXIDES
BCC LATTICES
CHROMIUM
DENSITY FUNCTIONAL METHOD
ELECTRONIC STRUCTURE
FILMS
INTERFACES
MOLYBDENUM
NIOBIUM
OXYGEN
SURFACES
TANTALUM
TUNGSTEN