| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 10576233 | Journal of Solid State Chemistry | 2005 | 7 Pages |
Abstract
First-principles DFT calculations show that in the subnitride Na16Ba6N phase the electron charge on nitrogen (nitride) is twice as compared to the subnitride NanBa3N phases (n=1,n=5) due to the isolation of the [NBa6] octahedra in Na16Ba6N as compared to the tubular infinite 1â[NBa6/2] strands in NanBa3N (n=1,n=5).
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Inorganic Chemistry
Authors
Josep M. Oliva,