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

The effect of orbital degrees of freedom on the exchange interactions in thespin-1 quasi-one-dimensional antiferromagnet CaV2O4 is systematically studied.For this purpose a realistic low-energy model with the parameters derived fromthe first-principles calculations is constructed. The exchange interactions arecalculated using both the theory of infinitesimal spin rotations near themean-field ground state and the superexchange model, which provide a consistentdescription. The obtained behaviour of exchange interactions substantiallydiffers from the previously proposed phenomenological picture based on themagnetic measurements and structural considerations, namely: (i) Despitequasi-one-dimensional character of the crystal structure, consisting of thezigzag chains of edge-sharing VO6 octahedra, the electronic structure isessentially three-dimensional, that leads to finite interactions between thechains; (ii) The exchange interactions along the legs of the chains appear todominate; and (iii) There is a substantial difference of exchange interactionsin two crystallographically inequivalent chains. The combination of these threefactors successfully reproduces the behaviour of experimental magneticsusceptibility.

First principles investigation of exchange interactions in quasi-one-dimensional antiferromagnet CaV2O4