Computational Study of Anisotropic Epitaxial Recrystallization in 4H-SiC
Journal Article
·
· Journal of Physics. Condensed matter, 20(12):Art. No. 125203
Two nano-sized amorphous layers were employed within a crystalline cell to study anisotropic expitaxial recrystallization using molecular dynamics (MD) methods in 4H-SiC. Both amorphous layers were created with the normal of the amorphous-crystalline (a-c) interfaces along the [0001] direction, but one with a microscopic extension long the [0001] direction, i.e. the dimension along the [-12-10] direction is much larger than that along the [-12-10] direction (Ix model), and another with a microscopic extension long the [-1010] direction (Iy model). The amorphous layer within the Ix model can be completely recrystallized at 2000 K within achievable simulation time, and the recrystallization is driven by a step-regrowth mechanism. On the other hand, the nucleation and growth of secondary ordered phases are observed at high temperatures in the Iy model. The temperature for recrystallization of the amorphous layer into high quality 4H-SiC is estimated to be below 1500 K. As compared with other models, it is found that the regrowth rates and recrystallization mechanisms strongly depend on the orientation of 4H-SiC, whereas the activation energy spectra for recrystallization processes are independent on a specific polytypic structure, with activation energies ranging from 0.8 to 1.7 eV.
- Research Organization:
- Pacific Northwest National Laboratory (PNNL), Richland, WA (US), Environmental Molecular Sciences Laboratory (EMSL)
- Sponsoring Organization:
- USDOE
- DOE Contract Number:
- AC05-76RL01830
- OSTI ID:
- 924659
- Report Number(s):
- PNNL-SA-58918; 17292; KC0201020
- Journal Information:
- Journal of Physics. Condensed matter, 20(12):Art. No. 125203, Journal Name: Journal of Physics. Condensed matter, 20(12):Art. No. 125203 Journal Issue: 12 Vol. 20; ISSN 0953-8984; ISSN JCOMEL
- Country of Publication:
- United States
- Language:
- English
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