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/

Global: Zendy Tools annual

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

Global: Zendy Tools monthly

Global: Zendy Plus monthly

Presents the access of premium content as premium feature

Premium Content

Global: Zendy Plus annual

Global: Zendy Free Plan

Based on density functional calculations, we report on the orbital order andmicroscopic magnetic model of FeNCN, a prototype compound for orbital-onlymodels. Despite having a similar energy scale, the spin and orbital degrees offreedom in FeNCN are only weakly coupled. The ground-state configurationfeatures the doubly occupied d_{3z^2-r^2} (a1g) orbital and foursingly-occupied d orbitals resulting in the spin S=2 on the Fe+2 atoms, whereasalternative (Eg') configurations are about 75 meV/f.u. higher in energy.Calculated exchange couplings and band gap are in good agreement with theavailable experimental data. Experimental effects arising from possible orbitalexcitations are discussed.

Orbital order and magnetism of FeNCN