Phase stability, electronic structure an
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Jiemin Wang; Jingyang Wang; Yanchun Zhou; Chunfeng Hu
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Article
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2008
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Elsevier Science
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English
โ 794 KB
In this paper we calculated the phase stability, electronic structure and mechanical properties of Nb 4 AlC 3 by means of a first-principles pseudopotential total energy method. Based on thermodynamical calculations of the two possible crystal structures of Nb 4 AlC 3 , atype Nb 4 AlC 3 is confirmed