We performed molecular dynamics simulations to study the atomic structure of the β-SiC/Si(001) and (111) interfaces. The wide lattice mismatch between the two materials (?20%) introduces an array of misfit dislocations along the interface, responsible for releasing almost all the strain which would be present in a pseudomorphic structure. The interface termination, its stoichiometry and the core dislocation structures are discussed here; for the most stable heterostructures, the simulated HREM images are presented, and the features connected to the peculiar interface reconstructions shown.
Combined HREM and theoretical analysis of SiC/Si interfaces / Grillo, V.; Frabboni, S.; Cicero, G.; Savini, G.; Catellani, A.. - (2018), pp. 69-72. [10.1201/9781351074636]
Combined HREM and theoretical analysis of SiC/Si interfaces
Grillo V.;Frabboni S.;
2018
Abstract
We performed molecular dynamics simulations to study the atomic structure of the β-SiC/Si(001) and (111) interfaces. The wide lattice mismatch between the two materials (?20%) introduces an array of misfit dislocations along the interface, responsible for releasing almost all the strain which would be present in a pseudomorphic structure. The interface termination, its stoichiometry and the core dislocation structures are discussed here; for the most stable heterostructures, the simulated HREM images are presented, and the features connected to the peculiar interface reconstructions shown.
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