Atomic-level simulation of epitaxial recrystallization and phase transformation in SiC
Atomic-level simulation of epitaxial recrystallization and phase transformation in SiC
Gao, F.; Devanathan, R.; Zhang, Y.; Posselt, M.; Weber, W. J.
A nano-sized amorphous layer embedded in an atomic simulation cell was used to study the amorphous-to-crystalline (a-c) transition and subsequent phase transformation by molecular-dynamics computer simulations in 3CSiC. The recovery of bond defects at the interfaces is an important process driving the initial epitaxial recrystallization of the amorphous layer, which is hindered by the nucleation of a polycrystalline 2HSiC phase. The kink sites and triple junctions formed at the interfaces between 2H and 3CSiC provide low-energy paths for 2HSiC atoms to transform to 3CSiC atoms. The spectrum of activation energies associated with these processes ranges from below 0.8 eV to about 1.9 eV.
Keywords: SiC; atomistic simulation; recrystallization
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Journal of Materials Research 21(2006), 1420-1426
DOI: 10.1557/JMR.2006.0176
Cited 10 times in Scopus
Permalink: https://www.hzdr.de/publications/Publ-8576
Publ.-Id: 8576