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/

Zendy Plus

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

Zendy Tools

Zendy Open

We report a theoretical density functional analysis of the exchange interactions in $(\mathrm{VO}{)}_{2}{\mathrm{P}}_{2}{\mathrm{O}}_{7}$ using molecular fragments. The calculations confirm that the magnetic structure must be decribed on the basis of linear dimer chains. The strongest exchange interaction is found through O-P-O bridges. The magnitude of the exchange parameters is governed not only by V-V distance but also by the whole structure along the superexchange pathway. The two chains present in the structure of $(\mathrm{VO}{)}_{2}{\mathrm{P}}_{2}{\mathrm{O}}_{7}$ are magnetically inequivalent. For the monoclinic phase of $(\mathrm{VO}{)}_{2}{\mathrm{P}}_{2}{\mathrm{O}}_{7},$ important variations in the calculated parameters for dimers with identical bridges are observed within one chain. The magnetic structure of this chain should be described not by two but by three or even four coupling constants.

physical review. b, condensed matter

Magnetostructural correlations and spin model of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mo>(</mml:mo><mml:mi mathvariant="normal">VO</mml:mi><mml:mrow><mml:msub><mml:mrow><mml:mo>)</mml:mo></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">P</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal…

Magnetostructural correlations and spin model of(VO)2P2