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Atomistic Lattice Calculations of the defect Properties of U2CuO4, Related to high Tc Superconductivity

Published online by Cambridge University Press:  28 February 2011

N. L. Allan  and
W. C. Mackrodt
N. L. Allan
Affiliation:
I.C.I, pic, Chemicals and Polymers Group, P.O. Box 8, The Heath, Runcorn, Cheshire WA7 4QD, U.K.
W. C. Mackrodt
Affiliation:
I.C.I, pic, Chemicals and Polymers Group, P.O. Box 8, The Heath, Runcorn, Cheshire WA7 4QD, U.K.
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Abstract

Calculations are reported of the perfect lattice and defect properties of the two phases of La2−x(ba,sr)xCuO4 [1] there has been intense interest, both experimental and theoretical, in materials of this type. To date, however, there appears to be no detailed account of the defect structure of La2CuO4 or La2−x(Ba,Sr)xCuO4, despite the evident importance of defect-related properties associated with the processing of these materials and the role that hole states, oxygen vacancies and impurities play in determining Tc. Accordingly, the present paper reports what are believed to be the first atomistic lattice calculations of the point defect properties of La2CuO4 related to high TC superconductivity.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 99: Symposium AA – High-Temperature Superconductors , 1987 , 797
Copyright
Copyright © Materials Research Society 1988

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References

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