Magnetic Anisotropy in Divalent Lanthanide Compounds.
Weibing ZhangAlmas MuhtadiNaoya IwaharaLiviu UngurLiviu F ChibotaruPublished in: Angewandte Chemie (International ed. in English) (2020)
Complexes of trivalent lanthanides (Ln) are known to possess strong magnetic anisotropy, which enables them to be efficient single-molecule magnets. High-level ab initio calculations are reported for [LnO] (where Ln is terbium (Tb), dysprosium (Dy), or holmium (Ho)), which show that divalent lanthanides can exhibit equally strong magnetic anisotropy and magnetization blocking barriers. In particular, detailed calculations predict a multilevel magnetization blocking barrier exceeding 3000 K for a [DyO] complex deposited on a hexagonal boron nitride (h-BN) surface, bringing the expected performance of single-molecule magnets to a qualitatively new level compared to the current state-of-the art complexes.
Keyphrases
- single molecule
- molecularly imprinted
- living cells
- density functional theory
- atomic force microscopy
- molecular dynamics
- molecular dynamics simulations
- quantum dots
- mycobacterium tuberculosis
- pi k akt
- mass spectrometry
- cell proliferation
- solid phase extraction
- gold nanoparticles
- reduced graphene oxide
- energy transfer