Molecular Dynamics Study of Molecular Dynamics Study of Ballistic Rearrangement of Ballistic Rearrangement of Surface Atoms During Ion Surface Atoms During Ion Bombardment on Pd(001) Surface Bombardment on Pd(001) Surface Sang-Pil Kim and Kwang-Ryeol Lee Computational Science Center rea Institute of Science and Technology, Seoul, Kor [email protected] (S.-P. Kim), [email protected] (K.-R. L
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Molecular Dynamics Study of Ballistic Rearrangement of Surface Atoms During Ion Bombardment on Pd(001) Surface Sang-Pil Kim and Kwang-Ryeol Lee Computational.
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Molecular Dynamics Study of Ballistic Molecular Dynamics Study of Ballistic Rearrangement of Surface Atoms During Rearrangement of Surface Atoms During
Ion Bombardment on Pd(001) SurfaceIon Bombardment on Pd(001) Surface
Sang-Pil Kim and Kwang-Ryeol Lee
Computational Science CenterKorea Institute of Science and Technology, Seoul, Korea
Ion Bombardment (Sputtering)Ion Bombardment (Sputtering)
Deposition Film coating
Ion bombardmentIon bombardment Surface treatmentSurface treatment
Science, 285, 1551 (1999).
- Most works utilized sputtering as deposition tool are focused on the reaction phenomena between recoiled ions from the target and substrate atoms to deposit.
- Since a possibility to manufacture the nano patterns on the surface was introduced, it has taken an enormous attention to researchers.
- Such a peculiar process resulted in enhancing the possibility for designing nano sized patterning by cheap and simple method.
ApplicationsApplicationsChaudhari et al., NATURE 411, 56 (2001)
Ordered adsorption of large molecules
Facsko et al., SCIENCE, 285, 1551 (1999)
Optoelectronic devices
Azzaroni et al., APL 82, 457 (2003)
Molding templates
De
po
sit
ion
Sp
utt
eri
ng
Moroni et al., PRL 91, 167207 (2003)
Manipulating magnetism
Catalytically active surface
Manipulating film texture
Theoretical ApproachTheoretical ApproachSigmund theorySigmund theory
- To confirm the rearrangement effect on the formation of surface patterns, many Ar atoms were bombarded on the Pd(001).
- The correlation image is a little distorted diamond shape along <100> and <010> direction.
Initial surface height
ComparisonComparison0.5 keV Ar on Pd(001) with normal direction
Experimental Result*4,200 Bombarding Result Rearrangement Distribution
2D auto-correlation function
*T.C. Kim et al., PRL 92, 246104 (2004).
- 2D auto-correlation function after 4,200 bombarding is in consistent with an experimental result.
- 4 fold anisotropic surface pattern results from the accumulation of the rearranged atoms of anisotropic lateral distribution.
• MD simulation shows that ballistic rearrangement of the surface atom by ion bombardment plays an important role in the surface structure evolution.
• Present simulation of Ar ion bombardment on Pd(001) surface demonstrates the formation of 4 fold symmetric patterns which is in good agreement with the previous experimental observation.
• Existing kinetic models which are based on the negative deposition concept should be revised to consider this effects.