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Ab initio study on the electronic and mechanical properties of ReB and ReC

✍ Scribed by Erjun Zhao; Jinping Wang; Jian Meng; Zhijian Wu

Publisher
Elsevier Science
Year
2009
Tongue
English
Weight
455 KB
Volume
182
Category
Article
ISSN
0022-4596

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Phase stability, electronic structure and mechanical properties of ternary-layered carbide Nb4AlC3: An ab initio study
✍ Jiemin Wang; Jingyang Wang; Yanchun Zhou; Chunfeng Hu πŸ“‚ Article πŸ“… 2008 πŸ› Elsevier Science 🌐 English βš– 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