Bulletin of the Korean Chemical Society

Korean Chemical Society (대한화학회)
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Density Functional Analysis of the Spin Exchange Interactions in VOSb2O4

  • Koo, Hyun-Joo (Department of Chemistry and Research Institute for Basic Sciences, Kyung Hee University)
  • Received : 2012.01.29
  • Accepted : 2012.04.19
  • Published : 2012.07.20
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Abstract

The spin exchange parameters of $VOSb_2O_4$ were evaluated by performing energy-mapping analysis based on density functional calculations. The spin exchange interaction between the nearest-neighbor $V^{4+}$ ions is strongly antiferromagnetic while other interactions are negligible. Thus, the magnetic structure of $VOSb_2O_4$ is best described by a spin-1/2 Heisenberg antiferromagnetic chain with no spin frustration.

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References

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