Ab initio studies of structural, elastic
Ab initio studies of structural, elastic and electronic properties of ZrxNb1−xC and ZrxNb1−xN alloys
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A. Zaoui; S. Kacimi; A. Boukortt; B. Bouhafs
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Article
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2010
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Elsevier Science
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English
⚖ 418 KB
We investigated the structural, elastic and electronic properties of 4d-transition-metal carbides (ZrC, NbC) and nitrides (ZrN, NbN) and their ternary alloys Zr x Nb 1Àx C and Zr x Nb 1Àx N in the range 0rxr1 by using the APW+lo method to solve Kohn-Sham equations. We have used the local density app