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Properties of Alkaline-Earth-Metal Polynitrogen Ternary Materials at High Pressure

[Image: see text] We report the formation of cubic and tetragonal BaSrN(3) at 100 GPa using an ab initio structure search method. Pressure ramping to 0 GPa reveals a reaction pressure threshold of 4.92 and 7.23 GPa for the cubic and tetragonal BaSrN(3), respectively. The cubic phase is stabilized by...

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Detalles Bibliográficos
Autores principales:	Adeleke, Adebayo A., Jossou, Ericmoore E., Ukoji, Nnanna U., Adeniyi, Adebayo O., Egbele, Peter O.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2020
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7581264/ https://www.ncbi.nlm.nih.gov/pubmed/33111005 http://dx.doi.org/10.1021/acsomega.0c03880

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