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Structure of Sr2CuO3 with corner shared CuO chains. A quasi one dimensional material, which nevertheless orders antiferromagnetically at rather low temperatures, with very small moments. Ca2CuO4 has the same structure.

The coupling in z-direction perpendicular to the chains happens via hybridization with the unoccupied cation d-orbitals, mainly with the Cu d orbitals, and is found in the LDA calculations two times stronger in the Ca case than in the Sr case. In y direction there is nearly no electronic coupling. (There is, however, dipolar spin-spin interaction.)

[K. M. Kojima et al. PRL 78, 1787 (1997)]


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