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

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

2007-09-11

arxiv.org/abs/0709.1585v1

Physical Review Letters 89, 15 (2002) 156101

Physics

Condensed Matter

Materials Science

Scientific paper

10.1103/PhysRevLett.89.156101

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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