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The effects of geometry and chemistry of nanopatterned substrates on the directed self-assembly of block-copolymer melts

Directed self-assembly of block copolymers over chemically patterned substrates has proven to be an effective method for sublithographic patterning. Features on these chemical patterns can be multiplied by the natural domain-spacing of the block copolymer assembled on top of the substrate through pattern interpolation. The LiuNealey (LiNe) chemoepitaxy flow for directed self-assembly allows for modification of the geometry and chemistry of the nanopatterned substrate. The critical dimensions and period along with the chemical composition of the patterned features in the LiNe flow govern the equilibrium morphology of the assembled block copolymer. We demonstrate how the construction of the chemical pattern affects the selection for desired, well-registered assembly of block copolymer melts by using a theoretically informed coarse-grained many-body model of block copolymers. The molecular simulations are used to provide an explanation for how to best design the chemical pattern in the LiNe flow for the directed self-assembly (DSA) of block copolymers to achieve desired line-andspace structures.