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

作　　者：段永利 臧浩天 邓文宇 齐丽君 杜广煜[2] 谢元华[2] 刘坤[2] DUAN Yong-li;ZANG Hao-tian;DENG Wen-yu;QI Li-jun;DU Guang-yu;XIE Yuan-hua;LIU Kun(Shenyang General Magnetic Co.,Ltd,Shenyang 110168,China;School of Mechanical Engineering and Automation,Northeastern University,Shenyang 110819,China)

机构地区：[1]沈阳中北通磁科技股份有限公司,沈阳110168 [2]东北大学机械工程与自动化学院,沈阳110819

出　　处：《表面技术》2021年第7期172-178,202,共8页Surface Technology

基　　金：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)。

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Al_(2)O_(3)/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Al_(2)O_(3)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Al_(2)O_(3)层的临界载荷。Si在Al(001)表面的最佳吸附位点为位点2,在Al_(2)O_(3)(001)表面未发现最佳吸附点。Si在Al_(2)O_(3)(001)表面的不同吸附点位下的电子得失情况不同,Si吸附Al_(2)O_(3)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Al_(2)O_(3)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Al_(2)O_(3)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Al_(2)O_(3)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Al_(2)O_(3)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Al_(2)O_(3)中间层后,将会降低膜层间结合力。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 Al_(2)O_(3)/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 Al_(2)O_(3) 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 Al_(2)O_(3) layer.The best adsorption site of Si on Al(001)surface was site 2,but the best adsorption site of Si on Al_(2)O_(3)(001)surface was not found.Si had different electron gains and losses at different points on the Al_(2)O_(3)(001)surface.The effect of Si adsorbing the Al_(2)O_(3) 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 Al_(2)O_(3) 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 Al_(2)O_(3) 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 Al_(2)O_(3) to adsorb Si.As a conclusion,Si forms a Si compound with Al during the adsorption process of Si on the Al layer,

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 

分 类 号：TG174.42[金属学及工艺—金属表面处理]