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Electronic Structures at Metal/Alumina Interfaces

Published online by Cambridge University Press:  16 February 2011

M. Kohyama ,
S. Kose ,
M. Kinoshita  and
R. Yamamoto
M. Kohyama
Affiliation:
Glass and Ceramic Material Department, Government Industrial Research Institute, Osaka, 1–8–31, Midorigaoka, Ikeda, Osaka 563, Japan.
S. Kose
Affiliation:
Glass and Ceramic Material Department, Government Industrial Research Institute, Osaka, 1–8–31, Midorigaoka, Ikeda, Osaka 563, Japan.
M. Kinoshita
Affiliation:
Glass and Ceramic Material Department, Government Industrial Research Institute, Osaka, 1–8–31, Midorigaoka, Ikeda, Osaka 563, Japan.
R. Yamamoto
Affiliation:
Research Center of Advanced Science and Technology, University of Tokyo, 4–6-1, Komaba, Meguro-ku, Tokyo 153, Japan.
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Abstract

The electronic structure of the interface between α-Al2O3(0001) and Nb layers has been calculated using the empirical tight-binding method and the slab model. It has been shown that a direct chemical bond of both covalent and ionic characters can be established at the interface between the surface O atoms of α-Al2O3 and the Nb atoms, which is consistent with the recent photoelectron spectroscopy study. General trends of the electronic structure and chemical bond at the interfaces between α-Al2O3.(0001) and a series of 4d transition metals have been examined using the same theoretical method. In all cases, there exist similar interactions between the surface O atoms and the metal atoms, and it has been observed that the occupancy in the portion of the antibonding peaks of the local density of states at the interface increases as the atomic number of the transition metal increases.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 193: Symposium Q – Atomic Scale Calculations of Structure in Materials , 1990 , 155
Copyright
Copyright © Materials Research Society 1990

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References

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