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• W1963607224 endingPage "086208" @default.
• W1963607224 startingPage "086208" @default.
• W1963607224 abstract "The recombination of Frenkel pairs resulting from low-energy recoils in 3C-SiC has been investigated using first principles and nudged elastic band calculations. Several recombination mechanisms have been obtained, involving direct interstitial migration, atom exchange, or concerted displacements, with activation energies ranging from 0.65 to 1.84 eV. These results are in agreement with experimental activation energies. We have determined the lifetime of the VSi+SiTC Frenkel pair, by computing phonon frequencies and the Arrhenius prefactor. The vibrational contributions to the free-energy barrier have been shown to be negligible in that case." @default.
• W1963607224 created "2016-06-24" @default.
• W1963607224 creator A5057659813 @default.
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• W1963607224 date "2007-02-09" @default.
• W1963607224 modified "2023-09-27" @default.
• W1963607224 title "Theoretical study of the recombination of Frenkel pairs in irradiated silicon carbide" @default.
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• W1963607224 doi "https://doi.org/10.1088/0953-8984/19/8/086208" @default.
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