Stability, structural, elastic and elect
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V.V. Bannikov; I.R. Shein; A.L. Ivanovskii
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Article
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2010
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Elsevier Science
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English
โ 576 KB
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