English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Zendy Plus

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Zendy Tools

Zendy Open

We present a microscopic description of molecular magnets by themulti-orbital Hubbard model, which includes the correlated hopping term, i.e.the dependence of electron hopping amplitude between orbitals on the degree oftheir occupancy. In the limit of large Coulomb on-site interaction, we derivedthe spin Hamiltonian using the perturbation theory. The magnetic couplingconstant between two ions we determined in two different ways: a)from theexpression obtained in the perturbation calculus and b)from the analysis ofdistances between the lowest levels of the energy spectrum obtained by thediagonalization of the multi-orbital Hubbard model. The procedure we use can beapplied to various nanomagnets, but the final calculations we performed for themolecular ring $Cr_8$. We showed that the correlated hopping can reduce theantiferromagnetic exchange between ions, what is essential for a properdescription of $Cr_8$.

Description of molecular nanomagnets by the multi-orbital Hubbard model with correlated hopping