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 Tools annual

Global: Zendy Free Plan

Global: Zendy Tools monthly

Global: Zendy Plus monthly

In view of the recent experimental predictions of a weak structuraltransition in CoV$_{2}$O$_{4}$ we explore the possible orbital order states inits low temperature tetragonal phases from first principles density functionaltheory calculations. We observe that the tetragonal phase with I4$_1/amd$symmetry is associated with an orbital order involving complex orbitals with areasonably large orbital moment at Vanadium sites while in the phase withI4$_1/a$ symmetry, the real orbitals with quenched orbital moment constitutethe orbital order. Further, to study the competition between orbital order andelectron itinerancy we considered Mn$_{0.5}$Co$_{0.5}$V$_{2}$O$_{4}$ as one ofthe parent compounds, CoV$_{2}$O$_{4}$, lies near itinerant limit while theother, MnV$_{2}$O$_{4}$, lies deep inside the orbitally ordered insulatingregime. Orbital order and electron transport have been investigated using firstprinciples density functional theory and Boltzmann transport theory inCoV$_{2}$O$_{4}$, MnV$_{2}$O$_{4}$ and Mn$_{0.5}$Co$_{0.5}$V$_{2}$O$_{4}$. Ourresults show that as we go from MnV$_{2}$O$_{4}$ to CoV$_{2}$O$_{4}$ there isenhancement in the electron's itinerancy while the nature of orbital orderremains unchanged.

Orbital order and electron itinerancy in CoV$_{2}$O$_{4}$ and Mn$ _{0.5} $Co$ _{0.5} $V$_{2}$O$_{4}$ from first principles