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Ionic Models for YBa2 Cu3 O7

Published online by Cambridge University Press:  28 February 2011

N. F. Wright ,
G. S. Painter ,
W. R. Busing  and
W. H. Butler
N. F. Wright
Affiliation:
Oak Ridge National Laboratory, P. 0. Box X, Oak Ridge, TN 37831
G. S. Painter
Affiliation:
Oak Ridge National Laboratory, P. 0. Box X, Oak Ridge, TN 37831
W. R. Busing
Affiliation:
Oak Ridge National Laboratory, P. 0. Box X, Oak Ridge, TN 37831
W. H. Butler
Affiliation:
Oak Ridge National Laboratory, P. 0. Box X, Oak Ridge, TN 37831
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Abstract

Simple ionic models are applied to YBa2 Cu3 O7. It is found that additional forces are needed to constrain the barium and the planar coordinated copper atoms to be stable in their observed positions. These additional forces are compared to forces calculated from first principles. It is observed that the restoring forces are small for motion of the “in chain” oxygen atoms perpendicular to the chains.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 99: Symposium AA – High-Temperature Superconductors , 1987 , 539
Copyright
Copyright © Materials Research Society 1988

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References

REFERENCES

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