First-principles FLAPW-GGA calculations for six possible polymorphs of ruthenium mononitride RuN indicate that the most stable structure is that of zinc blende rather than the rock salt structure recently reported for synthesized RuN samples. The elastic, electronic properties and the features of ch
The structural stability, elastic constants and electronic structure of Al–Sr intermetallics by first-principles calculations
✍ Scribed by Yifang Ouyang; Fenglian Liu; Hongmei Chen; Xiaoma Tao; Yong Du; Yuehui He
- Publisher
- Elsevier Science
- Year
- 2011
- Tongue
- English
- Weight
- 329 KB
- Volume
- 406
- Category
- Article
- ISSN
- 0921-4526
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