Examination of the Anisotropic Spin Exchange Interactions of CuM
The anisotropic spin exchange interactions of the magnetic solids CuM{sub 2}O{sub 6} (M=Sb, V, Nb) were explained by analyzing their reported crystal structures and calculating the spin orbital interaction energies of their spin dimers. The magnetic orbital of each Cu{sup 2+} site in CuM{sub 2}O{sub 6} is given by the ''x{sup 2}-y{sup 2}'' orbital so that the magnitude of an antiferromagnetic spin exchange interaction for a given spin dimer increases when the arrangement of the nearest-neighbor square-planar CuO{sub 4} units containing the magnetic orbitals provides a good sigma overlap between the adjacent magnetic orbitals. The one-dimensional magnetic chains of {alpha}-CuV{sub 2}O{sub 6}, {beta}-CuNb{sub 2}O{sub 6}, and {alpha}-CuNb{sub 2}O{sub 6} run along a direction different than their edge-sharing CuO{sub 4} chain directions. Our study predicts that the antiferromagnetic ordering in {beta}-CuNb{sub 2} O{sub 6} should make the magnetic unit cell double the chemical unit cell along the b-direction.
- Research Organization:
- Department of Chemistry, North Carolina State University, Raleigh, North Carolina (US)
- Sponsoring Organization:
- USDOE Office of Science (US)
- OSTI ID:
- 784333
- Journal Information:
- Journal of Solid State Chemistry, Vol. 156, Issue 1; Other Information: PBD: 1 Jan 2001; ISSN 0022-4596
- Country of Publication:
- United States
- Language:
- English
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