| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1811658 | Physica B: Condensed Matter | 2010 | 4 Pages |
Abstract
The structural and electronic properties of three isostructural transition metal nitrides VN, NbN and TaN have been calculated using the full-potential linearized augmented plane-wave method within a generalized gradient approximation scheme for the exchange-correlation potential. Perfect NaCl structures as well as lattices containing nitrogen vacancies (M4N3), and an hexagonal ε-M2N structure are considered. The trends are discussed and compared with available experimental and other theoretical results.
Related Topics
Physical Sciences and Engineering
Physics and Astronomy
Condensed Matter Physics
Authors
M. Sahnoun, J.C. Parlebas, M. Driz, C. Daul,