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Structural stability and mechanical property of WN from first-principles calculations

โœ Scribed by Yu Benhai; Wang Chunlei; Song Xuanyu; Sun Qiuju; Chen Dong


Book ID
116605488
Publisher
Elsevier Science
Year
2009
Tongue
English
Weight
482 KB
Volume
487
Category
Article
ISSN
0925-8388

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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