Attaining record-high magnetic exchange, magnetic anisotropy and blocking barriers in dilanthanofullerenes.

ABSTRACT: While the blocking barrier (U _eff) and blocking temperature (T _B) for "Dysprocenium" SIMs have been increased beyond liquid N₂ temperature, device fabrication of these molecules remains a challenge as low-coordinate Ln³⁺ complexes are very unstable. Encapsulating the lanthanide ion inside a cage such as a fullerene (called endohedral metallofullerene or EMF) opens up a new avenue leading to several Ln@EMF SMMs. The ab initio CASSCF calculations play a pivotal role in identifying target metal ions and suitable cages in this area. Encouraged by our earlier prediction on Ln₂@C₇₉N, which was verified by experiments, here we have undertaken a search to enhance the exchange coupling in this class of molecules

SUBMITTER: Dey S 

PROVIDER: S-EPMC8565386 | biostudies-literature | 2021 Nov

REPOSITORIES: biostudies-literature