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Electronic Structure and Antiferromagnetism in La2CuO4

Published online by Cambridge University Press:  28 February 2011

P. A. Sterne
Affiliation:
Dept. Physics, Univ. Maryland, College Park, MD 20742
C. S. Wang
Affiliation:
Dept. Physics, Univ. Maryland, College Park, MD 20742
G. M. Stocks
Affiliation:
Oak Ridge National Laboratory, P.O. Box X, Oak Ridge TN 37831
W. M. Temmerman
Affiliation:
SERC Daresbury Laboratory, Daresbury, Warrington WA4 4AD, U.K.
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Abstract

Self-consistent spin-polarized energy bands have been calculated for tetragonal and orthorhombic La2CuO4. No stable antiferromagnetic order is found in either the stoichiometric compound or oxygen deficient La2CuO3.75. Constraining the occupancy of Brillouin zone boundary states leads to a small antiferromagnetic moment in both systems which is rapidly quenched by Ba doping.

Type
Research Article
Copyright
Copyright © Materials Research Society 1988

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References

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