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

We will present the numerical evaluation of the hopping and magnetic exchangeintegrals for a nearest-neighbor $t-J$ model of the quarter-filled$\alpha^\prime NaV_2O_5$ compound. The effective integrals are obtained fromvalence-spectroscopy {\em ab initio} calculations of embedded crystal fragments(two $VO_5$ pyramids in the different geometries corresponding to the desiredparameters). We are using a large configurations interaction (CI) method, wherethe CI space is specifically optimized to obtain accurate energy differences.We show that the $\alpha^\prime NaV_2O_5$ system can be seen as atwo-dimensional asymmetric triangular Heisenberg lattice where the effectivesites represent delocalized $V-O-V$ rung entities supporting the magneticelectrons.Comment: 24 pages, 5 figure

physical review. b, condensed matter

<i>Ab initio</i>evaluation of local effective interactions in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msup><mml:mrow><mml:mi>α</mml:mi></mml:mrow><mml:mrow><mml:mo>′</mml:mo></mml:mrow></mml:msup></mml:mrow><mml:mo>−</mml:mo><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">NaV</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">O</mml:mi></mml:mrow><…

Ab initioevaluation of local effective interactions inα′−NaV2O<…