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

Motivated by the ongoing interest in nitrides as materials for spintronics applications, the effects of doping with magnetic transition‐metal elements (T = Cr, Mn, Fe, Co, and Ni) on the electronic properties of semiconducting scandium nitride (ScN) are studied. Using density functional theory together with the generalized gradient approximation (GGA) and PBE0r hybrid functional (with different mixing of the exact exchange), two different doping amounts of 25% (Sc 0.75 T 0.25 N) and 10% (Sc 0.9 T 0.1 N) are investigated. This is done in comparison to the reference compound ScN with a strong focus on identifying candidates for half‐metallic or semiconducting ferromagnetic ground states. Within GGA, only Sc 0.75 T 0.25 N and Sc 0.75 Mn 0.25 N are found to be semiconducting and half‐metallic, respectively. The use of hybrid functional changes these findings drastically, where Sc 0.75 Fe(Co,Ni) 0.25 N becomes the half‐metal and Sc 0.75 Cr(Mn) 0.25 N the semiconductor. However, additional calculations assuming antiferromagnetic ordering reveal that Sc 0.75 T 0.25 N is the only compound of this series, which prefers an antiferromagnetic (and semiconducting) ground state. For the lower concentration, Sc 0.9 T 0.1 N, similar results are predicted, and all the doped nitrides are found to prefer ferromagnetic ground state over an antiferromagnetic one.

Electronic and Magnetic Properties of Transition‐Metal‐Doped ScN for Spintronics Applications