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Bulletin of the Korean Chemical Society (BKCS)

ISSN 0253-2964(Print)
ISSN 1229-5949(Online)
Volume 33, Number 7
BKCSDE 33(7)
July 20, 2012 

Density Functional Analysis of the Spin Exchange Interactions in VOSb2O4
Hyun-Joo Koo
Spin exchange interactions, Mapping analysis, Density functional theory calculations, VOSb2O4
The spin exchange parameters of VOSb2O4 were evaluated by performing energy-mapping analysis based on density functional calculations. The spin exchange interaction between the nearest-neighbor V4+ ions is strongly antiferromagnetic while other interactions are negligible. Thus, the magnetic structure of VOSb2O4 is best described by a spin-1/2 Heisenberg antiferromagnetic chain with no spin frustration.
2338 - 2340
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