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Electronic Properties of Alumxna/Titania Mixed Oxides and Interfacial Surface Models: a Theoretical Analysis

Published online by Cambridge University Press:  01 January 1992

S.A. Jansen ,
S.A. Grabania ,
N.M. Buecheler  and
G. Whitwell
S.A. Jansen
Affiliation:
Temple University, Department of Chemistry, Philadelphia, PA
S.A. Grabania
Affiliation:
Temple University, Department of Chemistry, Philadelphia, PA
N.M. Buecheler
Affiliation:
Temple University, Department of Chemistry, Philadelphia, PA
G. Whitwell
Affiliation:
Akzo Chemical Inc., Dobbs Ferry, NY.
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Abstract

Alumina is a common contaminate of titania, which is found in paints and food additives. Recently, thin films of rutile TiO2 grown on sapphire (α-Alumina) have received attention for possible use in electronic and optical devices.1−3 However, the alumina-titania interface has not been well characterized. In this work we report an extensive analysis of the alumina-titania interfacial relationship. Using existing structural data4, models of common alumina and titania surfaces have been constructed. The model used maximizes the commensurability between the two structures. Semi-empirical/tight binding calculations have been employed to examine the monolayer as well as the interfacial electronic properties in terms of chemical interaction potential and stability.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 291: Symposium O – Materials Theory and Modeling , 1992 , 227
Copyright
Copyright © Materials Research Society 1993

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References

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