Adhesion of metal-carbide/nitride interfaces: Al/TiC and Al/TiN
文献类型：期刊论文
| 作者 | L. M. Liu ; S. Q. Wang ; H. Q. Ye |
| 刊名 | Journal of Physics-Condensed Matter
 |
| 出版日期 | 2003 |
| 卷号 | 15期号:47页码:8103-8114 |
| 关键词 | ceramic interfaces surface energies titanium nitride first-principles phase-formation al wettability exchange tin ag |
| ISSN号 | 0953-8984 |
| 中文摘要 | We employ density functional theory to investigate and compare Al/TiC and Al/TiN interfaces by electronic structures, relaxed atomic geometries and adhesions. The results show that the preferred bonding site is the interfacial At atoms above the ceramic's metalloid atoms for both systems. The calculated adhesion energies are quantitatively in agreement with other calculated and experimental results of At on the carbide and nitride. A detailed comparison of the adhesion energies and relaxed structures shows weaker bonding and less relaxation in the Al/nitride case, which is correlated with the lower surface energy of the ceramic. We have thoroughly characterized the electronic structure and determined that the polar covalent Al3sp-C(N)2s bonds constitute the primary interfacial bonding interaction. The larger overlapping bonding states at the Al/TiC interface reveal the reason why it exhibits relatively larger adhesion energy. Cleavage may take place preferentially at the interface, especially for the Al/TiN, which is in agreement with experimental results. |
| 原文出处 | |
| 公开日期 | 2012-04-14 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/35928]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 推荐引用方式 GB/T 7714 | L. M. Liu,S. Q. Wang,H. Q. Ye. Adhesion of metal-carbide/nitride interfaces: Al/TiC and Al/TiN[J]. Journal of Physics-Condensed Matter,2003,15(47):8103-8114. |
| APA | L. M. Liu,S. Q. Wang,&H. Q. Ye.(2003).Adhesion of metal-carbide/nitride interfaces: Al/TiC and Al/TiN.Journal of Physics-Condensed Matter,15(47),8103-8114. |
| MLA | L. M. Liu,et al."Adhesion of metal-carbide/nitride interfaces: Al/TiC and Al/TiN".Journal of Physics-Condensed Matter 15.47(2003):8103-8114. |
入库方式： OAI收割
来源：金属研究所
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