Density Functional Analysis of the Spin Exchange Interactions in VOSb2O4

Bulletin of the Korean chemical society

Hyun-Joo Koo¹ 

关键词: Spin exchange interactions;    Mapping analysis;    Density functional theory calculations;    VOSb2O4;   

DOI  :  

学科分类：化学（综合）

来源: Korean Chemical Society

【 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 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.

【 授权许可】

Unknown