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Dawson M. Smith

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Sep 2026

Pressure-Induced Phase Transitions in Cr-Based Nitride Electrides

Density functional theory calculations were used to investigate pressure-induced structural phase transitions in the nitride electrides Sr3CrN3 and Ba3CrN3 with nominally Cr4+ (d2 configuration) cations. At ambient conditions, both compounds crystallize in the hexagonal P63/m structure and undergo a transition to the...

Jacob A. Lafferty, Dawson M. Smith, Danna E. Freedman et al. · 0 citations

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