Journal
JOURNAL OF PHYSICS-CONDENSED MATTER
Volume 22, Issue 13, Pages -Publisher
IOP PUBLISHING LTD
DOI: 10.1088/0953-8984/22/13/135009
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Funding
- Nature Science Foundation of China (NSFC) [50531050]
- 973 project [2006CB605100]
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The interatomic potentials across metal/SiC(111) interfaces are derived from ab initio adhesive energies by an inversion method. We use these potentials to investigate the structures, energies and Burgers vectors of misfit dislocations in metal/SiC(111) interfaces. Two kinds of interfacial dislocations are found in M/SiC(111) (M = Au, Ag, Al, Pt) interfaces, where the M/SiC(111) (M = Au, Al) system has partial dislocations and the M/SiC(111) (M = Ag, Pt) system has perfect dislocations. The former has a coherent interface while the latter corresponds to a semi-coherent interface.
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