Density Functional Analysis of the Spin Exchange Interactions in VOSb2O4

摘要

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 V~(4+) 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.