Physics Physics Of Elementary Particles And Fields

Computational Study of Anisotropic Epitaxial Recrystallization in 4H-SiC

Authors: Gao, Fei Zhang, Yanwen Posselt, Matthias Weber, William J.
 
Abstract: 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.
Publication Date: 26 Mar 2008
Report numbers: PNNL-SA-58918
DOE Contract number: AC05-76RL01830
Resource Type: Journal Article
Resource Relation: Journal: Journal of Physics. Condensed matter, 20(12):Art. No. 125203; Journal Volume: 20; Journal Issue: 12
Research Organizations: Pacific Northwest National Laboratory (PNNL), Richland, WA (US), Environmental Molecular Sciences Laboratory (EMSL)
Sponsoring Organizations: USDOE
Country of Publication: United States
Language: English
Keywords relating to this report:
ANISOTROPY
COMPUTERIZED SIMULATION
EPITAXY
HYDRATES
MOLECULAR DYNAMICS METHOD
RECRYSTALLIZATION
SILICON CARBIDES

Subjects:
Related subjects:
COMPUTER SIMULATION
ENVIRONMENTAL MOLECULAR SCIENCES LABORATORY
EPITAXIAL RECRYSTALLIZATION
SILICON CARBIDE