Deciphering the origin of giant magnetic anisotropy and fast quantum tunnelling in Rhenium(IV) single-molecule magnets.

ABSTRACT: Single-molecule magnets represent a promising route to achieve potential applications such as high-density information storage and spintronics devices. Among others, 4d/5d elements such as Re(IV) ion are found to exhibit very large magnetic anisotropy, and inclusion of this ion-aggregated clusters yields several attractive molecular magnets. Here, using ab intio calculations, we unravel the source of giant magnetic anisotropy associated with the Re(IV) ions by studying a series of mononuclear Re(IV) six coordinate complexes. The low-lying doublet states are found to be responsible for large magnetic anisotropy and the sign of the axial zero-field splitting parameter (D) can be categorically predicted based on the position of the ligand coordination. Large transverse anisotropy along with l

SUBMITTER: Singh SK 

PROVIDER: S-EPMC4757791 | biostudies-literature | 2016 Feb

REPOSITORIES: biostudies-literature