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arXiv · 0709.1585

Ab initio Study of Misfit Dislocations at the SiC/Si(001) Interface

Giancarlo Cicero·Laurent Pizzagalli·Alessandra Catellani
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Abstract

The high lattice mismatched SiC/Si(001) interface was investigated by means of combined classical and ab initio molecular dynamics. Among the several configurations analyzed, a dislocation network pinned at the interface was found to be the most efficient mechanism for strain relief. A detailed description of the dislocation core is given, and the related electronic properties are discussed for the most stable geometry: we found interface states localized in the gap that may be a source of failure of electronic devices.

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Giancarlo Cicero, Laurent Pizzagalli, Alessandra Catellani. 2007-09-11. Ab initio Study of Misfit Dislocations at the SiC/Si(001) Interface. https://doi.org/10.1103/physrevlett.89.156101

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