Elastic properties of 5d transition-metal carbides: An ab initio study
We have systematically studied the mechanical stability of group V transition metal carbides TMC<sub>2</sub> (TM=Hf, Ta, W, Re, Os, Ir, Pt, and Au) in the pyrite and fluorite phase, by calculating their elastic constants within the density functional theory scheme. It was found that all...
| Main Authors: | , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Institute for Condensed Matter Physics
2015-09-01
|
| Series: | Condensed Matter Physics |
| Subjects: | |
| Online Access: | http://dx.doi.org/10.5488/CMP.18.33801 |
| Summary: | We have systematically studied the mechanical stability of group V transition metal carbides TMC<sub>2</sub> (TM=Hf, Ta, W, Re, Os, Ir, Pt, and Au) in the pyrite and fluorite phase, by calculating their elastic constants within the density functional theory scheme. It was found that all but ReC<sub>2</sub> and OsC<sub>2</sub> are stable in pyrite phase. On the other hand, all metal carbides studied were unstable in the fluorite phase. |
|---|---|
| ISSN: | 1607-324X |