Title of article
Structural, elastic and electronic properties of new antiperovskite-like ternary nitrides AlNNi3, GaNNi3 and InNNi3 as predicted from first principles
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
5
From page
457
To page
461
Abstract
Structural, elastic and electronic properties of the new ternary nitrides AlNNi3, GaNNi3 and InNNi3 with cubic antiperovskite-like structure have been predicted using the full-potential linearized augmented plane wave (FP-LAPW) method with the generalized gradient approximation (GGA) for the exchange–correlation potential.
Keywords
Ab initio calculations , Elastic , electronic properties , Structural
Journal title
Computational Materials Science
Serial Year
2010
Journal title
Computational Materials Science
Record number
1687691
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