KAgF3: quasi-one-dimensional magnetism in three-dimensional magnetic ions sublattice

Details KAgF3: quasi-one-dimensional magnetism in three-dimensional magnetic ions sublattice KAgF3: quasi-one-dimensional magnetism in three-dimensional magnetic ions sublattice

2010-07-04

arxiv.org/abs/1007.0545v3

Physics

Condensed Matter

Strongly Correlated Electrons

15 pages, 6 figures

Scientific paper

The electronic structure and magnetic properties of the Jahn-Teller-distorted perovskite KAgF3 have been investigated using the full-potential linerized aug- mented plane-wave method. It is found that KAgF3 exhibits significant quasi-one- dimensional antiferromagnetism with the ratio of exchange constant jJ?j (perpen- dicular to the z axis) and J (along the z axis) about 0.04, although the sublattice of magnetic ion is three-dimensional. The strong quasi-one-dimensional antiferromag- netism originates from the C-antiferro-distortive orbital ordering of the Ag2+ 4d9 ions. The orbital ordered antiferromagnetic insulating state in KAgF3 is determined by on-site Coulomb repulsion to a large extent.

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