Title of article
Stability, structural, elastic and electronic properties of RuN polymorphs from first-principles calculations
Author/Authors
Bannikov، نويسنده , , V.V. and Shein، نويسنده , , I.R. and Ivanovskii، نويسنده , , A.L.، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2010
Pages
4
From page
953
To page
956
Abstract
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 chemical bonds of zinc-blende RuN polymorph were investigated and discussed in detail.
Keywords
C. Crystal structure and symmetry , D. Electronic band structure , D. Mechanical properties
Journal title
Solid State Communications
Serial Year
2010
Journal title
Solid State Communications
Record number
1766773
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