| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1561885 | Computational Materials Science | 2012 | 11 Pages |
Abstract
⺠Oxynitrides electronic structure is provided using FP-(L)APW+lo method. ⺠The present calculation shows a good agreement with experiments and theoretical data. ⺠PW-PP and DFPT methods are employed to calculate the elastic properties and phonons. ⺠Si2N2O and Ge2N2O compounds are mechanically and dynamically stables. ⺠Elastic constants are reporte, the thermodynamic properties are deduced from phonons.
Related Topics
Physical Sciences and Engineering
Engineering
Computational Mechanics
Authors
Souraya Goumri-Said, Nawel Kanoun-Bouayed, Ali H. Reshak, Mohammed Benali Kanoun,