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采用嵌入原子方法的原子间相互作用势,利用分子动力学方法模拟了六种贵金属原子(Ni,Pd,Pt,Cu,Ag,Au)分别在Pt(111)表面低能沉积的动力学过程.结果表明:随着入射能量从0.1eV升高到200eV,基体表面原子是按层迁移的,沉积过程对基体表面的影响和沉积原子在基体表层的作用均存在两个转变能量(ET1≈5eV,ET2≈70eV).当入射能量低于5eV时,基体表面几乎没有吸附原子和空位形成,沉积原子在基体表层几乎没有注入产生;当入射能量在5—70eV范围内时,沉积原子在基体表层有注入产生,其注入深度小于两个原子层,即为亚注入,此时吸附原子主要由基体表层原子形成,基体表面第三层以下没有空位形成;当入射能量高于70eV时,沉积原子的注入深度大于两个原子层,将会导致表面以下第三层形成空位,并且空位产额随入射能量的升高而急剧增加.基于分子动力学模拟的结果,对低能沉积作用下的薄膜生长以及最优沉积参数的选择进行了讨论.
The kinetics of low-energy deposition of six precious metal atoms (Ni, Pd, Pt, Cu, Ag, Au) on the Pt (111) surface were simulated by the molecular dynamics method using the intermolecular interaction potential of the embedded atomic method The results show that as the incident energy increases from 0.1 eV to 200 eV, the atoms on the surface of the substrate migrate by layer. The influence of deposition on the surface of the substrate and the action of the deposited atoms on the surface of the substrate all have two transition energies (ET1≈5eV, ET2 ≈ 70eV) .When the incident energy is less than 5eV, almost no adsorption atoms and vacancy are formed on the surface of the substrate, and there is almost no deposition of deposition atoms on the surface of the substrate. When the incident energy is in the range of 5-70eV, , The implanted depth is less than two atomic layers, which is sub-implanted. At this time, the adsorbed atoms are mainly formed by the surface atoms of the substrate, and there is no vacancy below the third layer of the substrate surface. When the incident energy is higher than 70 eV, Greater than two atomic layers will result in the formation of vacancies in the third layer below the surface, and the vacancy yields sharply increase with the increase of incident energy.Based on the results of molecular dynamics simulation, And selecting the optimal film growth under the deposition parameters were discussed.