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

Using first-principles electronic structure methods, we have investigated the electronic structure and associated properties of Pr 3+ , Nd 3+ , Eu 3+ , Tb 3+ , Dy 3+  and Er 3+  substituting for Ga 3+  in GaN. It is found that these rare earth ions (RE 3+ ) are stable at the Ga site in tetrahedral coordination with nitrogen atoms. The nitrogen ligands move away from the RE 3+  site to allow for the large ionic radii of the RE 3+  ions. The equilibrium bond lengths of RE–N are found to vary between 2.15 to 2.30Å in good agreement with structural data available for Eu 3+ , Tb 3+  and Er 3+ . Using the calculated energy bands, excitation energies for the 4 f →5 d  transition have also been predicted. Most of these energies are larger than the band gap of GaN and cannot be exploited in transferring host excitation energies to the RE 3+  ions.

A First-Principles Investigation of the Electronic Structure of Trivalent Rare Earth Ions in Gallium Nitride