段永利,臧浩天,邓文宇,齐丽君,杜广煜,谢元华,刘坤.铝诱导法制备多晶硅薄膜的膜层间结合力影响机制[J].表面技术,2021,50(7):172-178, 202.
DUAN Yong-li,ZANG Hao-tian,DENG Wen-yu,QI Li-jun,DU Guang-yu,XIE Yuan-hua,LIU Kun.Binding Force Influencing Mechanism of Polysilicon Film Prepared by Aluminum Induction[J].Surface Technology,2021,50(7):172-178, 202 |
| 铝诱导法制备多晶硅薄膜的膜层间结合力影响机制 |
| Binding Force Influencing Mechanism of Polysilicon Film Prepared by Aluminum Induction |
| 投稿时间：2020-05-19 修订日期：2020-11-04 |
| DOI：10.16490/j.cnki.issn.1001-3660.2021.07.017 |
| 中文关键词: 多晶硅 铝诱导 膜层结合力 第一性原理计算 吸附点位 态密度 |
| 英文关键词:polysilicon aluminum induction film adhesion first-principles calculation adsorption sites density of states |
| 基金项目:2019年辽宁省科技重大专项项目(2019JH1/10100016);2019年度沈阳市高层次人才创新创业团队项目(2019-SYRCCX-D-01);辽宁省“兴辽英才”计划资助项目(XLYC1807072) |
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| Author | Institution |
| DUAN Yong-li | Shenyang General Magnetic Co., Ltd, Shenyang 110168, China |
| ZANG Hao-tian | School of Mechanical Engineering and Automation, Northeastern University, Shenyang 110819, China |
| DENG Wen-yu | Shenyang General Magnetic Co., Ltd, Shenyang 110168, China |
| QI Li-jun | Shenyang General Magnetic Co., Ltd, Shenyang 110168, China |
| DU Guang-yu | School of Mechanical Engineering and Automation, Northeastern University, Shenyang 110819, China |
| XIE Yuan-hua | School of Mechanical Engineering and Automation, Northeastern University, Shenyang 110819, China |
| LIU Kun | School of Mechanical Engineering and Automation, Northeastern University, Shenyang 110819, China |
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| 中文摘要: |
| 目的 分析铝诱导法制备多晶硅薄膜层间结合力大小的影响机制。方法 采用磁控溅射分别制备Al/α-Si复合薄膜以及Al2O3/α-Si复合薄膜，使用划痕仪获取两样品膜层结合力，并进行对比。采用第一性原理计算，从原子间作用力的微观角度，分析Si原子在Al层和Al2O3层的最佳吸附位置、吸附过程中的电子转移情况以及电子态密度图。结果 Si附着于Al层的临界载荷高于Si附着于Al2O3层的临界载荷。Si在Al(001)表面的最佳吸附位点为位点2，在Al2O3(001)表面未发现最佳吸附点。Si在Al2O3(001)表面的不同吸附点位下的电子得失情况不同，Si吸附Al2O3层的效果弱于其吸附于Al层的效果。在Si吸附于Al层的过程中，Si/Al界面层存在着Al─Si金属键的连接作用，Si原子的3p轨道电子和Al原子的3s、3p轨道电子起到吸附作用，吸附后，Si原子3p轨道电子的电子态数量增多，说明吸附过程中发生了电子的转移，膜层间形成了硅化物。在Al2O3层吸附Si原子的过程中，不同的吸附点位上，Si的得失电子情况不同，部分Si离子与Al2O3中的Al离子同时呈现出金属性，金属离子键的作用力降低了Si离子与O离子形成共价键的可能，降低了Al2O3吸附Si的能力。结论 Si吸附于Al层的过程中，与Al形成了硅化物，进而提高了膜层间结合力。加入Al2O3中间过渡层后，Si的金属性降低了与O形成共价键的可能，因此加入Al2O3中间层后，将会降低膜层间结合力。 |
| 英文摘要: |
| The influencing mechanism of the film bonding force of the polysilicon film prepared by the aluminum induction method was analyzed. Al/α-Si composite films and Al2O3/α-Si composite films were prepared by magnetron sputtering equipment, and the information of the bonding force of the two samples were obtained and compared using a scratch meter. First-principles calculation was used to analyze the optimal adsorption positions of Si atoms upon the Al layer and Al2O3 layer. The electron transfer situation during the adsorption process and the electron density of states were also observed. The critical load of Si attached to the Al layer is higher than that attached to the Al2O3 layer. The best adsorption site of Si on Al(001) surface was site 2, but the best adsorption site of Si on Al2O3(001) surface was not found. Si had different electron gains and losses at different points on the Al2O3(001) surface. The effect of Si adsorbing the Al2O3 layer is weaker than the effect of adsorbing the Al layer, which can be concluded by the results that the Al/Si metal bond connection exists in the Si/Al interface layer during the adsorption of Si on the Al layer. The 3p orbital electrons of the Si atom and the 3s and 3p orbital electrons of the Al atom play an adsorption role. The increase in the number of electron states of 3p orbital electrons indicates that electron transfer occurs during the adsorption process, and silicides are formed between the film layers, which further improves the bonding force between the film layers. During the adsorption of Si atoms in the Al2O3 layer however, the electron gain and loss of Si are different at different adsorption sites. Part of the Si ions and the Al ions in Al2O3 exhibit metallization at the same time. The force of the metal ion bond reduces the possibility of Si ions and O ions forming a covalent bond, thus reducing the ability of Al2O3 to adsorb Si. As a conclusion, Si forms a Si compound with Al during the adsorption process of Si on the Al layer, which in turn improves the interlayer bonding force. The metallicity of Si reduces the possibility of forming a covalent bond with O after the Al2O3 intermediate layer is added, so the adjunction of Al2O3 intermediate layer will reduce the interlayer bonding force. |
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