Superexchange interaction revisited: the role of the A-site cations in ACuO(3) (A = Se, Te)
SCIE
SCOPUS
- Title
- Superexchange interaction revisited: the role of the A-site cations in ACuO(3) (A = Se, Te)
- Authors
- Kim, BH; Choi, H; Min, BI
- Date Issued
- 2010-07-22
- Publisher
- IOP PUBLISHING LTD
- Abstract
- To investigate the effects of A-site cations on the magnetic interaction in highly distorted perovskite ACuO(3) (A = Se, Te), we have set the microscopic Hamiltonian for the Cu-O-Cu-A cluster, taking into account the (s) over barp or (p) over barp hybridization between A-(s) over bar or A-(p) over bar and O-2p orbitals. We have found that (i) the superexchange interaction of the simple Cu-O-Cu triad without considering the A-site effect is inadequate to explain the ferromagnetism of SeCuO3, (ii) the (p) over barp hybridization weakens the superexchange interactions and (iii) the (s) over barp hybridization induces the ferromagnetic superexchange interaction along the c-axis. We have also verified that the (s) over barp hybridization affects the magnetic interaction through anisotropic charge transfer energy shift in the Cu-O-Cu interaction path.
- URI
- https://oasis.postech.ac.kr/handle/2014.oak/11808
- DOI
- 10.1088/1367-2630/12/7/073023
- ISSN
- 1367-2630
- Article Type
- Article
- Citation
- NEW JOURNAL OF PHYSICS, vol. 12, page. 73023, 2010-07-22
- Files in This Item:
-
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.