Exchange integrals in magnetoelectric hexagonal ferrite (SrCo{sub 2}Ti{sub 2}Fe{sub 8}O{sub 19}): A density functional study
- School of Physics, Nankai University, Tianjin 300071 (China)
- Department of Physics, Tsinghua University, Beijing 100084 (China)
- College of Electronic Information and Optical Engineering, Nankai University, Tianjin 300071 (China)
The exchange integrals in magnetoelectric hexagonal ferrite SrCo{sub 2}Ti{sub 2}Fe{sub 8}O{sub 19} have been calculated by using density functional theory. To get 10 inter-sublattice and 3 intra-sublattice exchange integrals, the electronic structures and total energies of 20 spin arrangements have been calculated with General Gradient Approximation (GGA) + U method. The dependence of exchange integrals on U has been studied. The comparison between the exchange integrals in SrFe{sub 12}O{sub 19} and those in SrCo{sub 2}Ti{sub 2}Fe{sub 8}O{sub 19} shows that substitution of Co and Ti decreases the most interactions involving the 12 k sites. The investigation based on our exchange integrals indicates that magnetic interaction between R and S blocks reduces significantly in SrCo{sub 2}Ti{sub 2}Fe{sub 8}O{sub 19}.
- OSTI ID:
- 22273798
- Journal Information:
- Journal of Applied Physics, Vol. 115, Issue 17; Conference: 55. annual conference on magnetism and magnetic materials, Atlanta, GA (United States), 14-18 Nov 2010; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-8979
- Country of Publication:
- United States
- Language:
- English
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