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A critical thickness condition for graphene and other 2D materials
B. C. McGuigan, P. Pochet, and H. T. Johnson, Critical thickness for interface misfit dislocation formation in two-dimensional materials, Phys. Rev. B 93, 214103, 2016.
In this work, we report a critical thickness analysis for dislocation formation in 2D lateral heterostructures. The analysis applies to graphene, h-BN, and other 2D materials. We compare a fully atomistic approach to a continuum critical thickness theory, for the limiting cases of thin "films" on much thicker "substrates", and for cases in which the "film" and "substrate" are of comparable thickness -- also known as the compliant substrate case. By comparing atomistic and continuum formulations, we compute the effective dislocation core cutoff radii for graphene and h-BN, as well as the dislocation core energies. The work provides a comprehensive critical thickness analysis for 2D materials, and paves the way for defect-free growth of strained 2D lateral heterstructures.