Al掺杂Mg/Mg2Sn合金界面的第一性原理计算
First Principles Calculation of Al-Doped Mg/Mg2Sn Alloy Interface
Al掺杂Mg/Mg2Sn合金界面的第一性原理计算 |
| 王福容, 张永梅, 柏国宁, 郭庆伟, 赵宇宏 |
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First Principles Calculation of Al-Doped Mg/Mg2Sn Alloy Interface |
| WANG Furong, ZHANG Yongmei, BAI Guoning, GUO Qingwei, ZHAO Yuhong |
| 图1 Al元素掺杂不同界面取向的不同位置的Mg/Mg2Sn界面模型示意图 |
| Fig.1 Schematics of Mg/Mg2Sn interface model with different interface orientations doped with Al element (Roman numerals represent the different doping positions of Al at the interface) (a, b) Mg terminal (a) and Sn terminal (b) models of Mg(0001)/Mg2Sn(001) interface, respectively (c) Mg(0001)/Mg2Sn(022) interface model (d, e) Mg terminal (d) and Sn terminal (e) models of Mg(0001)/Mg2Sn(111) interface, respectively |
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