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physics.comp-ph2018
Energy minimization of 2D incommensurate heterostructures
Paul Cazeaux, Mitchell Luskin, Daniel Massatt
We derive and analyze a novel approach for modeling and computing the mechanical relaxation of incommensurate 2D heterostructures. Our approach parametrizes the relaxation pattern…
cond-mat.mes-hall2018
Relaxation and Domain Formation in Incommensurate 2D Heterostructures
Stephen Carr, Daniel Massatt, Steven B. Torrisi +3
We introduce configuration space as a natural representation for calculating the mechanical relaxation patterns of incommensurate two-dimensional (2D) bilayers, bypassing supercell…
cond-mat.mes-hall2018
Duality between atomic configurations and Bloch states in twistronic materials
Stephen Carr, Daniel Massatt, Mitchell Luskin +1
The relative orientation (twist) of successive layers of stacked two-dimensional (2D) materials creates variations in the interlayer atomic registry. The variations often form a su…