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Electronic Structure of LaBO3(B=Mn,Fe,Co,Ni,Cu) Perovskites and La2NiO4

Published online by Cambridge University Press:  01 January 1992

P. De La Mora ,
C. De Teresa  and
L. Vicente
P. De La Mora
Affiliation:
Departamento de Física, Facultad de Ciencias, UNAM, 04510 México, D.F.
C. De Teresa
Affiliation:
Departamento de Física y Química Teórica, Facultad de Química, UNAM, 04510 México, D.F.
L. Vicente
Affiliation:
Departamento de Física y Química Teórica, Facultad de Química, UNAM, 04510 México, D.F.
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Abstract

The electronic structure ofLaBO3 perovskites and La2NiO4 perovskite- like materials (where B = Mn,Fe,Co,Ni,Cu) have been studied inside a tight binding scheme using the extended Hückel Method. An analysis of the metal- oxygen bond is presented as well as the electronic structure in order to establish a correlation between electronic properties and catalytic activity (oxidation) of these compounds.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 291: Symposium O – Materials Theory and Modeling , 1992 , 331
Copyright
Copyright © Materials Research Society 1993

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References

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