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 propose a fully ab initio method, the opposing crystal potential (OCP), tocalculate the crystal field parameters of transition metal impurities ininsulator hosts. Through constrained density functional calculations, OCPobtains the constraining Lagrange multipliers, which act as cancellationpotential against the crystal field and lead to spherical $d$-electrondistribution. The method is applied to several insulators doped with Mn$^{4+}$and Mn$^{2+}$ ions and shown to be in good agreement with experiment.

Crystal field calculations for transition metal ions by application of an opposing potential