目的 减少微/纳机电系统半导体硅器件界面黏着效应的发生。方法 建立正三棱锥金刚石探针与硅基表面覆多层石墨烯或石墨炔膜的原子尺度物理模型。基于分子动力学纳米压痕法,重点比较硅基表面覆多层石墨烯或石墨炔膜的纳米黏着接触行为差异性,分析石墨炔和石墨烯层数对载荷与压深曲线﹑剪切变形﹑原子位移幅度﹑应力分布﹑位错总长﹑黏着效应的影响。结果 研究指出：硅基表面覆石墨烯或石墨炔膜不仅能有效提高硅基的承压性,且随覆膜层数增加,硅基承压性越强。研究发现石墨烯或石墨炔层数增加能有效减少硅基表面在卸载期的黏着效应产生,且硅表面覆石墨炔膜在卸载期产生的黏着效应要明显低于覆石墨烯膜。结论 硅基受压所产生的剪切变形和原子位移幅度的程度对石墨烯或石墨炔层数增加有显著依赖性。随覆石墨烯或石墨炔层数增加,薄膜刚度得以提高,以致硅基受压产生的剪切变形和原子位移幅度程度逐渐减弱。此外,石墨烯和石墨炔受压产生的断裂缺口大小与硅基剪切变形和原子位移幅度剧烈程度呈正相关。本研究结果将为抑制微/纳机电系统半导体硅器件的黏着产生提供新策略与理论依据。
Abstract
Practice has shown that when semiconductor silicon materials operate under high-speed, heavy-load or harsh working conditions in a micro/nano electromechanical system, the mating surfaces such as transmission meshing, hub connection, and pin connection often experience adhesive contact failures, which weaken the interface contact performance and are highly susceptible to the coupling effects of flash temperature points, adhesion forces, surface/interfaces effects, quantum effects. If we can understand or suppress the adhesion generation on interface from a nanoscale perspective, it will have significant scientific research significance on extending the durability service life of silicon devices in micro/nano electromechanical system semiconductors.
At present, this research on the adhesion behaviour at the interface of micro/nano electromechanical systems mainly relies on molecular dynamics simulation and micro/nano precision instrument testing methods. The micro/nano experimental testing methods are extremely costly in terms of both human resources and financial resources, while MD is favored by researchers due to its powerful computing capabilities, which enable it to simulate systems that are consisted by hundreds of millions of atoms. To reduce the adhesion generated at the interface of semiconductor silicon in micro-electromechanical systems, a physical model at the atomic scale between a regular triangular pyramid probe and silicon surfaces coated with graphene and graphdiyne films is established accordingly. Based on the nanoindentation method, the differences on the nano-adhesive contact behavior of graphene and graphdiyne films coated on silicon surfaces are compared. The influence of the number of coated films on the load-displacement curve, shear deformation, displacement amplitude, stress distribution, total dislocation length, and adhesive effect is mainly analyzed. Research indicates that silicon-based surfaces coated with graphene films and graphdiyne films not only effectively enhance the load-bearing capacity of the silicon substrate, but also show a stronger load-bearing capacity as the number of films increases.
This research finds that the silicon-based surface coated with graphene films and graphdiyne films can effectively reduce the adhesion effect. The adhesion effect produced by the silicon-based surface covered with graphdiyne films is significantly lower than that of graphene films, and as the number of films increases, the adhesion effect gradually decreases. Furthermore, the research shows that the intensity of shear deformation and atomic displacement on silicon-based surfaces is highly dependent on the number of graphene and graphdiyne films on the silicon surface. The main manifestation is as follows: As the number of graphene films and graphdiyne films increases, the stiffness of films is enhanced. The size of the fracture gap generated under load is positively correlated with the shear deformation of the silicon substrate surface and the amplitude of atomic displacement. This research result provides new strategies and theoretical basis for avoiding the adhesion contact failure in micro-electromechanical system semiconductor devices.
关键词
纳米黏着 /
半导体硅 /
石墨烯膜 /
石墨炔膜 /
分子动力学
Key words
nano adhesive /
semiconductor Si /
graphene films /
graphdiyne films /
molecular dynamics
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基金
国家自然科学基金项目（62563030）; 南昌市AI无损表型测量技术与装备重点实验室项目; 江西省教育厅科学技术项目（GJJ2402616,GJJ2402609）; 南昌理工学院校级科研课题（NLZK2401,NLZK2406,NLZK2504）
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