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http://dx.doi.org/10.5012/bkcs.2012.33.7.2338

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)
Publication Information
Bulletin of the Korean Chemical Society / v.33, no.7, 2012 , pp. 2338-2340 More about this Journal
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.
Keywords
Spin exchange interactions; Mapping analysis; Density functional theory calculations; $VOSb_2O_4$;
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