Lithography

Calculations of the free energy of dislocation defects in lamellae forming diblock copolymers using thermodynamic integration

[+] Author Affiliations
Andrew J. Peters, Richard A. Lawson, Benjamin D. Nation, Peter J. Ludovice, Clifford L. Henderson

Georgia Institute of Technology, School of Chemical and Biomolecular Engineering, 311 Ferst Drive NW, Atlanta, Georgia 30332-0100, United States

J. Micro/Nanolith. MEMS MOEMS. 15(2), 023505 (May 10, 2016). doi:10.1117/1.JMM.15.2.023505
History: Received October 15, 2015; Accepted April 5, 2016
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Abstract.  State-of-the-art directed self-assembly (DSA) of block copolymer (BCP) methods still yield defect densities orders of magnitude higher than is necessary in semiconductor fabrication. The defect free energy of a dislocation pair or jog defect, one of the most common defects found in BCP-DSA, is calculated via thermodynamic integration using a coarse-grained molecular dynamics model as a function of χ and the degree of polymerization (N). It is found that χN is not the best predictor of defect free energy and that a single χN value can yield vastly different free energies when χ and N are different. Defect free energy was highly dependent on defect location relative to the underlayer, and free energy differences 100  kT were found among the three possible defect locations on a 1:3 guiding pattern. It was found that increasing molar mass dispersity (Ð) significantly reduced defect free energy. Extrapolating from Ð up to 1.5 suggests that the defect will occur in equal proportions to the defect free state at a Ð of around 1.6 for this system. It was found that long chains tended to concentrate near the defect and stabilize the defect.

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© 2016 Society of Photo-Optical Instrumentation Engineers

Citation

Andrew J. Peters ; Richard A. Lawson ; Benjamin D. Nation ; Peter J. Ludovice and Clifford L. Henderson
"Calculations of the free energy of dislocation defects in lamellae forming diblock copolymers using thermodynamic integration", J. Micro/Nanolith. MEMS MOEMS. 15(2), 023505 (May 10, 2016). ; http://dx.doi.org/10.1117/1.JMM.15.2.023505


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