Stability of registry in strained-layer superlattice interfaces

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Abstract
Stability of lattice registry as a function of lattice parameter mismatch has been studied for a single interface. The interface model consists of two two-dimensional lattice systems each 12 atoms high by 120 atoms long. Each of the two lattice systems has a different lattice parameter, but is initially constrained to match at the interface. The atoms interact with their nearest neighbors either through a Lennard-Jones potential or an anisotropic potential designed to more closely simulate covalent bonding. The stability of registry is then determined via Monte Carlo evolution of the initial state of the system. We find that registry is stable to extremely large mismatches (>15%), from which one can infer that the observed loss of registry above a few percent mismatch is not due to instability of an initially perfect superlattice, but rather to an inability to grow perfect interfaces.

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