In和Cu掺杂对Sn基钎料抗电性能影响的第一性原理研究  

Effects of In and Cu additions on the electromigration resistance of Sn based solder: First principles calculations

作　　者：黄彬彬[1] 张星辉[2] 

机构地区：[1]福建师范大学闽南科技学院,泉州362332 [2]西南交通大学现代物理研究所,成都610031

出　　处：《原子与分子物理学报》2015年第1期168-172,共5页Journal of Atomic and Molecular Physics

摘　　要：采用第一性原理的方法对Cu和In提高Sn基钎料抗电性能机制进行研究.计算结果表明,Sn31Cu和Sn31In相对Sn32具有更高的扩散激活能,并且最靠近掺杂位置的Sn原子的扩散迁移能高于Cu和In原子,这表明Cu和In的掺杂可以提高Sn基钎料的抗电性能,并且Cu和In原子在电迁移过程中是占主导的扩散元素.电子结构分析表明Cu和In的掺杂可以提高体系的稳定性,特别是极大地稳定了与其邻近的Sn原子.The mechanisms of Cu and In improving the electromigration （EM） resistance of Sn-based solder were investigated by first-principles calculations. The calculated diffusion activation energies in both Sn31Cu and Sn31 In are higher than that in Sn32, the barrier energy of the first nearest neighbor （FNN） Sn is higher than those of Cu and In. This results indicate that Cu and In could improve the EM resistance of Sn - based solder and they are the dominant diffusing species compared with Sn. The results of electronic structures show that the doped systems are more stable. Particularly, the FNN Sn atoms are greatly immobilized.

关 键 词：第一性原理 Sn基钎料 扩散激活能 稳定性 电子结构 

分 类 号：TG139.7[一般工业技术—材料科学与工程]