Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1594599 | Solid State Communications | 2009 | 4 Pages |
Abstract
First-principles calculations of the crystal structure and the elastic properties of OsN2 have been carried out with the plane-wave pseudopotential density functional theory method. The calculated values are in very good agreement with experimental data as well as with some of the existing model calculations. The dependence of the elastic constants cijcij, the aggregate elastic moduli (B,G,E)(B,G,E), Poisson’s ratio, and the elastic anisotropy on pressure has been investigated. Moreover, the variation of the Debye temperature and the compressional and shear elastic wave velocities with pressure PP up to 60 GPa at 0 K have been investigated for the first time.
Related Topics
Physical Sciences and Engineering
Materials Science
Materials Science (General)
Authors
Feng Peng, Dong Chen, Xiangdong Yang,