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RSC Advances, volume 11, issue 28, pages 17222-17228

Pressure-induced stability and polymeric nitrogen in alkaline earth metal N-rich nitrides (XN6, X = Ca, Sr and Ba): a first-principles study

Publication type: Journal Article
Publication date: 2021-05-11
Journal: RSC Advances
scimago Q1
SJR: 0.715
CiteScore: 7.5
Impact factor: 3.9
ISSN: 20462069
General Chemistry
General Chemical Engineering
Abstract

The Fddd-SrN6 structure can transform into P1̄-SrN6, and polymerized to infinite nitrogen chain structures at P = 22 GPa. For BaN6, the Fmmm-BaN6 structure can transform into C2/m-BaN6, and polymerized to N6 ring network structure at P = 110 GPa.

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