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 / Grille, V.; Frabboni, S.; Cicero, G.; Savini, G.; Catellani, A.. - 6:(2004), pp. 69-72. (Intervento presentato al convegno Design and Nature II: Comparing Design in Nature with Science and Engineering tenutosi a Rhodes, grc nel 2004).
Combined HREM and theoretical analysis of SiC/Si interfaces
Frabboni S.;
2004
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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