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The surface planarity and asperity removal behavior on atomic scale in an ultrathin water environment were studied for a nanoscale process by molecular dynamics simulation. Monolayer atomic removal is achieved under both noncontact and monoatomic layer contact conditions with different water film thicknesses. The newly formed surface is relatively smooth without deformed layers, and no plastic defects are present in the subsurface. The nanoscale processing is governed by the interatomic adhering action during which the water film transmits the loading forces to the Cu surface and thereby results in the migration and removal of the surface atoms. When the scratching depth ≥ 0.5 nm, the abrasive particle squeezes out the water film from the scratching region and scratches the Cu surface directly. This leads to the formation of trenches and ridges, accumulation of chips ahead of the particles, and generation of dislocations within the Cu substrate. This process is mainly governed by the plowing action, leading to the deterioration of the surface quality. This study makes the "0 nm planarity, 0 residual defects, and 0 polishing pressure" in a nanoscale process more achievable and is helpful in understanding the nanoscale removal of materials for developing an ultra-precision manufacture technology.


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Surface removal of a copper thin film in an ultrathin water environment by a molecular dynamics study

Show Author's information Junqin SHI1Liang FANG1,2( )Kun SUN1( )Weixiang PENG1Juan GHEN1Meng ZHANG1
State Key Laboratory for Mechanical Behavior of Materials, Xi’an Jiaotong University, Xi’an 710049, China
School of Mechanical and Electrical Engineering, Xiamen University Tan KahKee College, Zhangzhou 363105, China

Abstract

The surface planarity and asperity removal behavior on atomic scale in an ultrathin water environment were studied for a nanoscale process by molecular dynamics simulation. Monolayer atomic removal is achieved under both noncontact and monoatomic layer contact conditions with different water film thicknesses. The newly formed surface is relatively smooth without deformed layers, and no plastic defects are present in the subsurface. The nanoscale processing is governed by the interatomic adhering action during which the water film transmits the loading forces to the Cu surface and thereby results in the migration and removal of the surface atoms. When the scratching depth ≥ 0.5 nm, the abrasive particle squeezes out the water film from the scratching region and scratches the Cu surface directly. This leads to the formation of trenches and ridges, accumulation of chips ahead of the particles, and generation of dislocations within the Cu substrate. This process is mainly governed by the plowing action, leading to the deterioration of the surface quality. This study makes the "0 nm planarity, 0 residual defects, and 0 polishing pressure" in a nanoscale process more achievable and is helpful in understanding the nanoscale removal of materials for developing an ultra-precision manufacture technology.

Keywords: surface removal, monoatomic adhesion, copper thin film, ultrathin water film

References(38)

[1]
J F Luo, D A Dornfeld. Material removal mechanism in chemical mechanical polishing: Theory and modeling. IEEE Trans Semicond Manuf 14(2): 112-133 (2001)
[2]
T Kasai, B Bhushan. Physics and tribology of chemical mechanical planarization. J Phys: Condens Matter 20(22): 225011 (2008)
[3]
Z Y Lu, S H Lee, S V Babu, E Matijević. The use of monodispersed colloids in the polishing of copper and tantalum. J Colloid Interface Sci 261(1): 55-64 (2003)
[4]
L N Si, D Guo, J B Luo, X C Lu. Monoatomic layer removal mechanism in chemical mechanical polishing process: A molecular dynamics study. J Appl Phys 107(6): 064310 (2010)
[5]
M Tsujimura. The way to zeros: The future of semiconductor device and chemical mechanical polishing technologies. J Appl Phys 55(6S3): 06JA01 (2016)
[6]
K Godin, C Cupo, E H Yang. Reduction in step height variation and correcting contrast inversion in dynamic AFM of WS2 monolayers. Sci Rep 7: 17798 (2017)
[7]
F B Kaufman, D B Thompson, R E Broadie, M A Jaso, W L Guthrie, D J Pearson, M B Small. Chemical-mechanical polishing for fabricating patterned W metal features as chip interconnects. J Electrochem Soc 138(11): 3460-3465 (1991)
[8]
D W Zhao, T Q Wang, Y Y He, X C Lu. Effect of zone pressure on wafer bending and fluid lubrication behavior during multi-zone CMP process. Microelectron Eng 108: 33-38 (2013)
[9]
T C Hung, S H Chang, C C Lin, Y T Su. Effects of abrasive particle size and tool surface irregularities on wear rates of work and tool in polishing processes. Microelectron Eng 88(9): 2981-2990 (2011)
[10]
F Ilie. Tribochemical interaction between nanoparticles and surfaces of selective layer during chemical mechanical polishing. J Nanopart Res 15(11): 1997 (2013)
[11]
P Z Zhu, Y Z Hu, T B Ma, H Wang. Molecular dynamics study on friction due to ploughing and adhesion in nanometric scratching process. Tribol Lett 41(1): 41-46 (2011)
[12]
Q Luo, D R Campbell, S V Babu. Stabilization of alumina slurry for chemical-mechanical polishing of copper. Langmuir 12(15): 3563-3566 (1996)
[13]
Y T Su. Investigation of removal rate properties of a floating polishing process. J Electrochem Soc 147(6): 2290-2296 (2000)
[14]
U B Patri, S Pandija, S V Babu. Role of molecular structure of complexing/chelating agents in copper CMP slurries. Mater Res Soc Symp Proc 867: W1.11 (2005)
[15]
A J Barthel, A Al-Azizi, N D Surdyka, S H Kim. Effects of gas or vapor adsorption on adhesion, friction, and wear of solid interfaces. Langmuir 30(11): 2977-2992 (2014)
[16]
X C Chen, Y W Zhao, Y G Wang, H L Zhou, Z F Ni, W An. Nanoscale friction and wear properties of silicon wafer under different lubrication conditions. Appl Surf Sci 282: 25-31 (2013)
[17]
J Q Ren, J S Zhao, Z G Dong, P K Liu. Molecular dynamics study on the mechanism of AFM-based nanoscratching process with water-layer lubrication. App Surf Sci 346: 84-98 (2015)
[18]
J Q Shi, J Chen, L Fang, K Sun, J P Sun, J Han. Atomistic scale nanoscratching behavior of monocrystalline Cu influenced by water film in CMP process. App Surf Sci 435: 983-992 (2018)
[19]
Y Chen, Z N Li, N M Miao. Polymethylmethacrylate (PMMA)/CeO2 hybrid particles for enhanced chemical mechanical polishing performance. Tribol Int 82: 211-217 (2015)
[20]
Y Mishin, M J Mehl, D A Papaconstantopoulos, A F Voter, J D Kress. Structural stability and lattice defects in copper: Ab initio, tight-binding, and embedded-atom calculations. Phys Rev B 63(22): 224106 (2001)
[21]
P M Morse. Diatomic molecules according to the wave mechanics. II. Vibrational levels. Phys Rev 34(1): 57-64 (1929)
[22]
M Imran, F Hussain, M Rashid, S A Ahmad. Molecular dynamics study of the mechanical characteristics of Ni/Cu bilayer using nanoindentation. Chin Phys B 21(12): 126802 (2012)
[23]
W Y Chang, T H Fang, S J Lin, J J Huang. Nanoindentation response of nickel surface using molecular dynamics simulation. Mol Simul 36(11): 815-822 (2010)
[24]
H M Khan, S G Kim. On the wear mechanism of thin nickel film during AFM- based scratching process using molecular dynamics. J Mech Sci Technol 25(8): 2111-2120 (2011)
[25]
J L F Abascal, C Vega. A general purpose model for the condensed phases of water: TIP4P/2005. J Chem Phys 123(23): 234505 (2005)
[26]
J Q Shi, Y N Zhang, K Sun, L Fang. Effect of water film on the plastic deformation of monocrystalline copper. RSC Adv 6(99): 96824-96831 (2016)
[27]
Y Gao, C J Ruestes, H M Urbassek. Nanoindentation and nanoscratching of iron: Atomistic simulation of dislocation generation and reactions. Comput Mater Sci 90: 232-240 (2014)
[28]
A Stukowski, K Albe. Extracting dislocations and non- dislocation crystal defects from atomistic simulation data. Model Simul Mater Sci Eng 18(8): 085001 (2010)
[29]
A Stukowski. Visualization and analysis of atomistic simulation data with OVITO-the open visualization tool. Model Simul Mater Sci Eng 18(1): 015012 (2010)
[30]
J F Luo, D A Dornfeld. Material removal regions in chemical mechanical planarization for submicron integrated circuit fabrication: Coupling effects of slurry chemicals, abrasive size distribution, and wafer-pad contact area. IEEE Trans Semicond Manuf 16(1): 45-56 (2003)
[31]
B Shiari, R E Miller, D D Klug. Multiscale simulation of material removal processes at the nanoscale. J Mech Phys Solids 55(11): 2384-2405 (2007)
[32]
P A Thiel, T E Madey. The interaction of water with solid surfaces: Fundamental aspects. Surf Sci Rep 7(6-8): 211-385 (1987)
[33]
M A Henderson. The interaction of water with solid surfaces: Fundamental aspects revisited. Surf Sci Rep 46(1-8): 1-308 (2002)
[34]
G Held, D Menzel,. The structure of the p(√3 × √3)R30° bilayer of D2O on Ru(001). Surf Sci 316(1-2): 92-102 (1994)
[35]
S Meng, E G Wang, S W Gao. Water adsorption on metal surfaces: A general picture from density functional theory studies. Phys Rev B 69(19): 195404 (2004)
[36]
A Hodgson, S Haq. Water adsorption and the wetting of metal surfaces. Surf Sci Rep 64(9): 381-451 (2009)
[37]
B Bhushan. Springer Handbook of Nanotechnology. Berlin, Heidelberg (Germany): Springer, 2013: 82-83.
[38]
U Raviv, P Laurat, J Klein. Fluidity of water confined to subnanometre films. Nature 413(6851): 51-54 (2001)
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Publication history

Received: 16 August 2018
Revised: 31 October 2018
Accepted: 19 November 2018
Published: 02 March 2019
Issue date: April 2020

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© The author(s) 2019

Acknowledgements

This work was supported by the National Natural Science Foundation of China [Grant numbers 51375364 and 51475359] and Natural Science Foundation of Shaanxi Province of China [2014JM6219].

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