1. Surface energies and electronic properties of intermetallic compound B2-AgMg.
- Author
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Sun, Jing-Bo, Yao, Jian-Gang, Meng, Jiang, Li, Shuping, Jiang, Yong, and Wang, Jigang
- Subjects
- *
INTERMETALLIC compounds , *CHEMICAL potential , *SURFACE energy , *STOICHIOMETRY - Abstract
A new method was used to predict the surface energies of three low-index surfaces for intermetallic compound B2-AgMg. The results show that Ag-terminal and Mg-terminal are the two kinds of surface models for (1 0 0) and (1 1 1) surfaces which are non-stoichiometry. (1 1 0) surface has only one surface terminal, which is stoichiometry, and the smallest surface energy (about 0. 8 6 2 J / m 2) in three low-index surfaces. The surface energies are related to the chemical potential of Ag and Mg atoms for (1 0 0) and (1 1 1) surfaces, but it is of no concern to this factor for stoichiometry (1 1 0) surface. Analysis of electronic properties is coincident with the calculated surface energies. [ABSTRACT FROM AUTHOR]
- Published
- 2019
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