A first-principles study on the existenc
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Michael Wessel; Richard Dronskowski
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Article
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2010
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John Wiley and Sons
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English
β 191 KB
## Abstract The lighter alkalineβearth pernitrides BeN~2~, MgN and CaN~2~ have been structurally predicted by a series of densityβfunctional (GGA/PBE/PAW) electronicβstructure calculations. Despite their crystal chemistry clearly pointing towards the formulation M^2+^N~2~^2β^ with an Nο£ΏN distance o