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 Plus monthly

Global: Zendy Tools annual

Global: Zendy Tools monthly

Global: Zendy Free Plan

Charged nitrogen dimers are ubiquitous in high-pressure binary metal-nitrogensystems. They are known to possess integer formal charges x varying from onethrough four. Here, we present the investigation of the binary alkali- andalkaline earth metal-nitrogen systems, Na-N, Ca-N, Sr-N, Ba-N to 70 GPa. Wereport on compounds-Na3(N2)4, Ca3(N2)4, Sr3(N2)4, and Ba(N2)3-featuring chargednitrogen dimers with paradigm-breaking non-integer charges, x = 0.67, 0.75 and1.5. The metallic nature of all four compounds is deduced from ab initiocalculations. The conduction electrons occupy the pi* antibonding orbitals ofthe charged nitrogen dimers that results in anion-driven metallicity.Delocalization of these electrons over the pi* antibonding states enables thenon-integer electron count of the dinitrogen species. Anion-driven metallicityis expected to be found among a variety of compounds with homoatomic anions(e.g., polynitrides, carbides, and oxides), with the conduction electronsplaying a decisive role in their properties.

High-Pressure Na3(N2)4, Ca3(N2)4, Sr3(N2)4, and Ba(N2)3 Featuring Nitrogen Dimers with Non-Integer Charges and Anion-Driven Metallicity