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Crystal Structure of V4AlC3: A New Layered Ternary Carbide

โœ Scribed by Chunfeng Hu; Jie Zhang; Jiemin Wang; Fangzhi Li; Jingyang Wang; Yanchun Zhou


Book ID
109260712
Publisher
John Wiley and Sons
Year
2008
Tongue
English
Weight
535 KB
Volume
91
Category
Article
ISSN
0002-7820

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Phase stability, electronic structure an
โœ Jiemin Wang; Jingyang Wang; Yanchun Zhou; Chunfeng Hu ๐Ÿ“‚ Article ๐Ÿ“… 2008 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 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