Al掺杂Mg/Mg2Sn合金界面的第一性原理计算

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

First Principles Calculation of Al-Doped Mg/Mg₂Sn Alloy Interface

WANG Furong, ZHANG Yongmei, BAI Guoning, GUO Qingwei, ZHAO Yuhong

图2 Mg/Mg₂Sn界面不同位置掺杂Al元素的黏附功
(a) Mg(0001)/Mg₂Sn(001) interface
(b) Mg(0001)/Mg₂Sn(022) interface
(c) Mg(0001)/Mg₂Sn(111) interface

Fig.2 Adhesion energies of Mg/Mg₂Sn interface with doping Al element at different positions (Dotted lines represent the interface adhesion energies without Al element)