Density functional analysis of the spin exchange interactions in VOSb 2o 4

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 V4+ 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.