Theoretical investigation of non-collinear magnetization effects in polynuclear complexes with strong magnetic anisotropy

Liviu Chibotaru, Universiteit Leuven

A theoretical approach combining ab initio calculations of anisotropic magnetic properties of the metal fragments with model description of exchange interaction between the fragments will be presented. This approach will be applied for the investigation of the effects of non-collinear magnetic structure on the magnetic properties of several strongly anisotropic polynuclear compounds of recent interest. We will mostly concentrate on the cobalt and dysprosium complexes, as well as some mixed 4f-3d and 4f-3d-4d compounds. The implication of magnetic non-collinearity in molecular spintronics will be also discussed.