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KAgF(3): Quasi-one-dimensional magnetism in three-dimensional magnetic ion sublattice

Author:
Zhang, Xiaoli  Zhang, Guoren  Jia, Ting  Guo, Ying  Zeng, Zhi  Lin, H. Q.  


Journal:
PHYSICS LETTERS A


Issue Date:
2011


Abstract(summary):

The electronic structure and magnetic properties of the Jahn-Teller-distorted perovskite KAgF(3) have been investigated using the full-potential linearized augmented plane-wave method. It is found that KAgF(3) exhibits significant quasi-one-dimensional antiferromagnetism with the ratio of exchange constant vertical bar J perpendicular to vertical bar (perpendicular 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 antiferromagnetism originates from the C-antiferro-distortive orbital ordering of the Ag(2+) 4d(9) ions. The orbital ordered antiferromagnetic insulating state in KAgF(3) is determined by on-site Coulomb repulsion to a large extent. (C) 2011 Elsevier By. All rights reserved.


Page:
2456---2459


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