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
First-principles study of structural stability, electronic and elastic properties of ZrC compounds
β Scribed by Zengtao Lv; Haiquan Hu; Cheng Wu; Shouxin Cui; Guiqing Zhang; Wenxia Feng
- Publisher
- Elsevier Science
- Year
- 2011
- Tongue
- English
- Weight
- 528 KB
- Volume
- 406
- Category
- Article
- ISSN
- 0921-4526
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