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 Plus annual

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

Global: Zendy Plus monthly

Global: Zendy Tools annual

Global: Zendy Tools monthly

Global: Zendy Free Plan

The paper discusses the magnetic state of zeta phase of iron nitride viz.$\zeta$-Fe$_2$N on the basis of spin polarized first principles electronicstructure calculations together with a review of already published data.Results of our first principles study suggest that the ground state of$\zeta$-Fe$_2$N is ferromagnetic (FM) with a magnetic moment of 1.528$\mu_\text{B}$ on the Fe site. The FM ground state is lower than theanti-ferromagnetic (AFM) state by 8.44 meV and non-magnetic(NM) state by 191meV per formula unit. These results are important in view of reports whichclaim that $\zeta$-Fe$_2$N undergoes an AFM transition below 10K and otherswhich do not observe any magnetic transition up to 4.2K. We argue that theexperimental results of AFM transition below 10K are inconclusive and wepropose the presence of competing FM and AFM superexchange interactions betweenFe sites mediated by nitrogen atoms, which are consistent withGoodenough-Kanamori-Anderson rules. We find that the anti-ferromagneticallycoupled Fe sites are outnumbered by ferromagnetically coupled Fe sites leadingto a stable FM ground state. A Stoner analysis of the results also supports ourclaim of a FM ground state.

Competing Ferromagnetic and Anti-Ferromagnetic interactions in Iron Nitride $\zeta$-Fe$_2$N