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

Investigations on II-Sn-N2 (II = Mg, Ca) have been started very recentlycompared to the intense research of the Zn-IV-N2 (IV = Si, Ge, Sn). In thiswork, we perform a comprehensive study of cation disorder in stoichiometricMgSnN2 and crystal structure characteristic, doping behavior ofoff-stoichiometric Mg1+xSn1-xN2 (x = -0.8, -0.6, -0.5, -0.4, -0.2, 0.2, 0.4,0.5, 0.6, 0.8) by using the cluster expansion method and first principlescalculations. It is found that cation disorder in stoichiometric MgSnN2 inducesa band gap reduction because of a violation of the octet rule. Moreover, thelocal disorder, namely forming (4,0) or (0,4) tetrahedra, would lead to anappreciable band gap reduction and hinder the enhancement of the opticalabsorption. An off-stoichiometric Mg/Sn ratio can strongly affect themorphology of Mg1+xSn1-xN2 samples due to the higher ionicity of the Mg-N bondsin comparison with Zn-N bonds. Furthermore, Mg1+xSn1-xN2 compounds show anambipolar self-doping behavior, i.e., Mg-rich Mg1+xSn1-xN2 show p-type dopingwhile Sn-rich ones exhibit n-type doping owing to the formation ofacceptor-type antisite defect MgSn or donor-type antisite defect SnMg,respectively.

Cation disorder in stoichiometric MgSnN2 and ambipolar self-doping behavior in off-stoichiometric MgSnN2