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A First-Principles Study on the Existence of Niobium and Tantalum Sesquioxide

✍ Scribed by Claudia Wessel; Prof. Dr. Richard Dronskowski


Book ID
112233503
Publisher
John Wiley and Sons
Year
2012
Tongue
German
Weight
544 KB
Volume
638
Category
Article
ISSN
0372-7874

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A first-principles study on the existenc
✍ Michael Wessel; Richard Dronskowski πŸ“‚ Article πŸ“… 2010 πŸ› John Wiley and Sons 🌐 English βš– 191 KB

## Abstract The lighter alkaline‐earth pernitrides BeN~2~, MgN and CaN~2~ have been structurally predicted by a series of density‐functional (GGA/PBE/PAW) electronic‐structure calculations. Despite their crystal chemistry clearly pointing towards the formulation M^2+^N~2~^2βˆ’^ with an Nο£ΏN distance o