First-principles calculations to investigate the structural stability, electronic and mechanical properties of CuGa 2 and Cu 9 Ga 4
文献类型：期刊论文
| 作者 | Guo, Shihao1; Huang, Yaoxuan1; Wang, Li1; Gao, Zhaoqing2,3; Wang, Yunpeng1; Ma, Haitao1 |
| 刊名 | MATERIALS TODAY COMMUNICATIONS
 |
| 出版日期 | 2024-06-01 |
| 卷号 | 39页码:9 |
| 关键词 | Intermetallic compounds Elastic modulus First-principles calculations Low-temperature brazing Micro-interconnection |
| DOI | 10.1016/j.mtcomm.2024.108711 |
| 通讯作者 | Wang, Yunpeng(yunpengw@dlut.edu.cn) ; Ma, Haitao(htma@dlut.edu.cn) |
| 英文摘要 | This paper aims to evaluate the service reliability of intermetallic compounds (IMCs) in Cu-Ga joints. It accomplished this by calculating the thermodynamic and mechanical properties of CuGa 2 and Cu 9 Ga 4 , which are common IMCs in Cu-Ga low temperature interface reaction, based on the first-principles calculation. According to the calculation results of enthalpy of formation and binding energy, both CuGa 2 and Cu 9 Ga 4 are thermodynamically stable, and Cu 9 Ga 4 exhibits superior thermodynamic stability compared to CuGa 2 . The mechanical properties of Cu 9 Ga 4 are better than CuGa 2 , with larger bulk modulus, shear modulus and Young ' s modulus. By comparing the elastic modulus with that of IMCs of Cu-Sn system, Cu 9 Ga 4 shows larger elastic modulus than eta ' -Cu 6 Sn 5 and smaller than Cu 3 Sn. In addition, Cu 9 Ga 4 exhibits excellent toughness. By fitting the thermal expansion coefficients of Cu, CuGa 2 and Cu 9 Ga 4 , the result shows that the thermal expansion coefficients of Cu and Cu 9 Ga 4 are better matched. Additionally, the rapid volume expansion of CuGa 2 weakens the interaction force between its atoms, resulting in a faster decay of its bulk modulus. The prediction of the mechanical properties of Cu-Ga compounds provides a deeper understanding of their properties and is important for the understanding of the feasibility of low-temperature brazing of Cu-Ga soldering systems. |
| WOS研究方向 | Materials Science |
| 语种 | 英语 |
| WOS记录号 | WOS:001225183500001 |
| 出版者 | ELSEVIER |
| 源URL |  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 通讯作者 | Wang, Yunpeng; Ma, Haitao |
| 作者单位 | 1.Dalian Univ Technol, Sch Mat Sci & Engn, Dalian 116000, Peoples R China 2.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China 3.Univ Sci & Technol China, Sch Mat Sci & Engn, Shenyang 110016, Peoples R China |
| 推荐引用方式 GB/T 7714 | Guo, Shihao,Huang, Yaoxuan,Wang, Li,et al. First-principles calculations to investigate the structural stability, electronic and mechanical properties of CuGa 2 and Cu 9 Ga 4[J]. MATERIALS TODAY COMMUNICATIONS,2024,39:9. |
| APA | Guo, Shihao,Huang, Yaoxuan,Wang, Li,Gao, Zhaoqing,Wang, Yunpeng,&Ma, Haitao.(2024).First-principles calculations to investigate the structural stability, electronic and mechanical properties of CuGa 2 and Cu 9 Ga 4.MATERIALS TODAY COMMUNICATIONS,39,9. |
| MLA | Guo, Shihao,et al."First-principles calculations to investigate the structural stability, electronic and mechanical properties of CuGa 2 and Cu 9 Ga 4".MATERIALS TODAY COMMUNICATIONS 39(2024):9. |
入库方式： OAI收割
来源：金属研究所
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