首页 | 本学科首页   官方微博 | 高级检索  
     


Crystal structure of the mirror symmetry 10H-type long-period stacking order phase in Mg-Y-Zn alloy
Authors:Jian-Xiong Yi  Bi-Yu Tang  Ping Chen  Dong-Lin Li  Li-Ming PengWen-Jiang Ding
Affiliation:a Department of Physics, Xiangtan University, Hunan Province 411105, China
b Key Laboratory of Low Dimensional Materials and Application Technology, Ministry of Education (Xiangtan University), Hunan Province 411105, China
c School of Chemistry and Chemical Engineering, Guangxi University, Nanning 530004, China
d Light Alloy Net Forming National Engineering Research Center, School of Materials Science and Engineering, Shanghai Jiaotong University, Shanghai 200030, China
Abstract:The crystal structure of the 10H-type long-period stacking order structure in Mg-Y-Zn alloy was investigated by first-principle calculations. The calculated results show that the accurate positions and distinctive arrangement of Zn and Y atoms in the most stable 10H-type LPSO phase exhibit mirror symmetry with respect to the atomic layer C6, which agrees well with the experimental observations. Theoretical calculations still indicate that the mirror symmetry 10H-type ABACBCBCAB phase is not distorted, the lattice distortion of other LPSO phases may originate from the asymmetry of Zn element in the chemical order and stacking order. The obtained electronic density of states (DOS) reveals the underlying mechanism for mirror symmetry of 10H-LPSO phase.
Keywords:10H-type LPSO phase   Mirror symmetry   Crystal structure   Electronic structure   First-principle electron theory
本文献已被 ScienceDirect 等数据库收录!
设为首页 | 免责声明 | 关于勤云 | 加入收藏

Copyright©北京勤云科技发展有限公司  京ICP备09084417号