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

CoCr$_2$O$_4$ has attracted significant attention recently due to severalinteresting properties such as magnetostriction, magnetoelectricity etc.. Morerecent experiments on Fe substituted CoCr$_2$O$_4$ observed a variety of novelphenomena such as the magnetic compensation accompanied by the occurrence ofexchange bias, which reverses its sign. Understanding of such phenomena maylead to control the properties of these material in an efficient way to enhanceits potential for multifunctional applications. In this paper, we study themicroscopic understanding of Fe doping in modifying the structural and magneticproperties of CoCr$_{2}$O$_{4}$ with varying composition and substitution of Feat different sublattices by first-principles density functional calculations.We have analysed in detail the effect of Fe substitution on crystal field andexchange splittings, magnetic moments and interatomic exchange parameters. Itis also observed that with increasing concentration of Fe impurity, the systemhas a tendency towards forming an "Inverse Spinel" structure as observed inexperiments. Such tendencies are crucial to understand this system as it wouldlead to modifications in the magnetic exchange interactions associated withsites with different symmetry finally affecting the magnetic structure and themultiferrocity in turn.

Structural, electronic and magnetic properties of Fe doped CoCr$_{2}$O$_{4}$: insights from ab initio calculations