低能Cu_(13)团簇沉积薄膜的分子动力学模拟研究
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摘要
利用分子动力学模拟方法对Cu_(13)团簇在Fe(001)表面上沉积薄膜进行了研究,分析了不同沉积条件对薄膜生长模式的影响,对比分析了不同沉积条件下表面粗糙度、缺陷分布和外延度等薄膜性质的差异。Cu_(13)团簇的初始沉积能量范围为0.1~10.0 eV/atom,沉积率为1.0 clusters/ps,衬底温度分别为300,700和1 000 K。模拟结果表明:团簇初始沉积能量主要影响薄膜生长模式,当初始沉积能量为7.5 e V/atom的Cu_(13)团簇沉积到温度为300 K的Fe(001)表面时,可形成表面光滑、内部缺陷少和较好外延度的高质量Cu薄膜。
The formation of Cu film on Fe(001)surface by depositing Cu_(13)clusters was investigated via the molecular dynamics simulation.The incident energy range of Cu_(13)clusters was from 0.1 to 10.0 eV/atom,and the deposition rate was 1 clusters/ps.The temperature of substrate was 300,700 and 1 000 K,respectively.The effects of incident energy of cluster and substrate temperature on the growth mode,surface roughness,defects distribution and epitaxy degree of film were studied.The simulation results show that the incident energy of Cu_(13)clusters plays a dominant role in the growth mode of film.In addition,when the incident energy of Cu_(13)clusters is 7.5 eV/atom and the substrate temperature is 300 K,the Cu film formed on Fe(001)surface is smoother,few defects and better epitaxy degree.
The formation of Cu film on Fe(001)surface by depositing Cu_(13)clusters was investigated via the molecular dynamics simulation.The incident energy range of Cu_(13)clusters was from 0.1 to 10.0 eV/atom,and the deposition rate was 1 clusters/ps.The temperature of substrate was 300,700 and 1 000 K,respectively.The effects of incident energy of cluster and substrate temperature on the growth mode,surface roughness,defects distribution and epitaxy degree of film were studied.The simulation results show that the incident energy of Cu_(13)clusters plays a dominant role in the growth mode of film.In addition,when the incident energy of Cu_(13)clusters is 7.5 eV/atom and the substrate temperature is 300 K,the Cu film formed on Fe(001)surface is smoother,few defects and better epitaxy degree.
引文
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[3]KREUZPAINTNER W,WIEDEMANN B,STAHN J,et al.Physical Review Applied,2017,7(5):054004.
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[18]HONG Z H,HWANG S F,FANG T H.Surface Science,2011,605(s1-2):46.
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[24]ZHANG S X,GONG H F,GAO N,et al.Computational Materials Science,2014,85:230.
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[26]NOSE S.Chemical Physics,1984,81(1):511.
[27]ZHANG M L,LI G P.Solid State Phenomena,2007,121-123:607.
[28]ACKLAND G J,BACON D J,CALDER A F,et al.Philosophical Magazine A,1997,75(3):713.
[29]SWOPE W C,ANDERSEN H C,BERENS P H,et al.Chemical Physics,1982,76:637.
[30]ANDERSEN H C.J Comput Phys,1983,52:24.
[31]HAILE J M,JOHNSTON I,MALLINCKRODT A J,et al.Computers in Physics,1993,7:625.
[32]VOLMER M,WEBER A.Zeitschrift f¨ur Physikalische Chemie,1925,119:277.
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