Quantifying the influence of 3d-4s mixing on linearly coordinated metal-ions by L_2,3-edge XAS and XMCD.

ABSTRACT: The mixing valence d and s orbitals are predicted to strongly influence the electronic structure of linearly coordinated molecules, including transition metals, lanthanides and actinides. In specific cases, novel magnetic properties, such as single-ion magnetic coercivity or long spin decoherence times, ensue. Inspired by how the local coordination symmetry can engender such novel phenomena, in this study, we focus our attention on dopants (Mn, Fe, Co, Ni, Cu) in lithium nitride to accept innovation from molecular magnetism in a high symmetry P6/mmm solid-state crystal. The linear coordination environment results in strong 3d-4s mixing, proving to be an ideal series to investigate the role of d-s mixing and bonding on electronic structure and magnetism. It is shown that L

SUBMITTER: Huzan MS 

PROVIDER: S-EPMC10866348 | biostudies-literature | 2024 Feb

REPOSITORIES: biostudies-literature