半导体硅器件接触时粘着产生起因的原子尺度分析  

Original Analysis of Adhesion Produced for Semiconductor Silicon Device Based on Atomic Simulation

作　　者：张琦[1,2] 陈晶晶 宋萌萌 马艳花[1,2] ZHANG Qi;CHEN Jing-jing;SONG Meng-meng;MA Yan-hua(Hainan Engineering Research Center of Intelligent Grid Equipment,Hainan College of Economics and Business,Haikou 571127,China;College of Electromechanical and Automotive Engineering,Hainan College of Economics and Business,Haikou 571127,China;College of Physics and Electrical Engineering,Ningde Normal University,Ningde 352100,China)

机构地区：[1]海南经贸职业技术学院海南智能电网装备工程研究中心,海口571127 [2]海南经贸职业技术学院机电与汽车工程学院,海口571127 [3]宁德师范学院信息与机电工程学院,福建宁德352100

出　　处：《表面技术》2021年第9期269-277,共9页Surface Technology

基　　金：海南省自然科学基金高层次人才项目(620RC667);福建省自然科学基金(2020J01432)。

摘　　要：目的实现对半导体硅器件接触变形与相变转化的微观认识和理解其粘着产生起因。方法基于分子动力学法的Morse和Tersoff混合势函数,对单晶硅受加载和卸载时的接触特性与粘着起因展开分析,并用剪切应变和配位数分别描述硅器件接触变形与相变行为。结果加载期时,硅基与探针紧密接触区应变程度由内到外逐渐衰减;卸载期时,应变由外到内逐渐增强,且卸载时接触边缘两侧硅原子会形成桥搭,表明硅基与探针接触时存有粘着,该粘着是诱导硅基原子粘附于探针表面的主因。粘着产生是由于硅基受载时,硅发生相变转化的键能被破坏引起。加载期积累的部分应变能在卸载时得以释放,以致硅基与探针紧密接触区的部分破坏原子粘附于探针外围轮廓,而产生明显粘着增强。另外,加载和卸载时的硅基相变主要以Bct5-Si为主,且单晶硅粘着接触变形与相变行为受温度依赖性显著。温度越高,硅基表面容易有随机粗糙波纹出现,卸载时更容易受温度影响而产生粘着增强效应,这是诱导半导体微/纳器件失效的根本原因。结论半导体硅器件的动态接触变形与相变转化受温度依赖性显著,温度升高引起的材料软化变形是造成粘附增强的主要原因。此次研究对高温重载工况的半导体器件接触行为和粘着起因的理解有更深层次认识。To gain the microscopic understanding on the contact deformation and phase transformation of semiconductor silicon devices,and find out the cause of adhesion.In the use of Morse and Tersoff mixed potential function based on molecular dynamics method,the contact characteristics and the cause of cohesion of mono-crystalline silicon during loading or unloading were analyzed,and the contact deformation and phase transformation of silicon devices were described by the shear strain and coordination number respectively.It was noted that the strain degree decreased gradually from inside to outside in the close contact area between the silicon substrate and the probe during loading,and the strain degree increased gradually from outside to inside during unloading.Moreover,a bridge was formed on contact edge sides during unloading,which indicated that there was a strong adhesion around contact sides and it served as the main cause for inducing some silicon-based atoms to adhere to the probe surface.In addition,the underlying reason of the produced occlusion adhesion could attribute to the destruction of the bond energy of the phase transformation of silicon atoms when the silicon substrate was loaded.At the same time,some of the strain energy accumulated during the loading was released during unloading,so that the close contact area between the silicon substrate and the probe partially destroyed the adhesion of atoms to the peripheral contour of the probe,resulting in obvious adhesion.Furthermore,the silicon-based phase transformation during loading and unloading was mainly Bct5-Si,and the contact deformation with adhesive effect and phase transformation in mono-crystalline silicon got affected as temperature increased.In other words,the higher temperature was,the more random rough ripples would appear on the silicon surface,and the enhanced effect of the adhesion was more likely to be affected by the temperature during unloading,which was the fundamental cause that led to the failure of semiconductor micro/nano devices.The

关 键 词：温度响应 单晶硅 粘着 原子模拟 相变转化 

分 类 号：TH117[机械工程—机械设计及理论]