Influence of chemical vapor deposition conditions on N incorporation ratio on vicinal 4H-SiC(000-1) surface: Ab Initio-based approach
Abstract
In experimental studies, increasing the ratio of source gases (C3H8/SiH4; C/Si ratio) for chemical vapor deposition (CVD) causes the growth rate to increase monotonically, and nitrogen incorporation tends to decrease accordingly; however, a unique phenomenon has been observed in which nitrogen incorporation increases discontinuously in the range of C/Si ratio between 1.0 and 1.5. This phenomenon is specific to the vicinal 4H-SiC(000-1) C-face and is not observed on the vicinal 4H-SiC(0001) Si-face. In this study, N incorporation behavior on a vicinal C-face during CVD is investigated using an ab initio-based approach. The calculation results suggest that when C/Si ratio is less than 1.0, the Si-terminated step edge is stable, whereas when C/Si ratio exceeds 1.0, the existence probability of the C-H-terminated step edge, where the N substitution energy is lower than in the former case, increases sharply. This change in the step-edge state across C/Si = 1.0 is thought to be the cause of the discontinuous increase in N incorporation.
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BibTeX
@misc{ota2026influence,
title = {{Influence of chemical vapor deposition conditions on N incorporation ratio on vicinal 4H-SiC(000-1) surface: Ab Initio-based approach}},
author = {Wataru Ota and Akira Kusaba and Yoshihiro Kangawa and Keisuke Kurashima and Ichiro Mizushima and Kenji Shiraishi},
howpublished = {arXiv},
year = {2026},
month = sep,
doi = {10.48550/arxiv.2609.28891},
eprint = {2609.28891},
archivePrefix = {arXiv},
url = {https://arxiv.org/abs/2609.28891},
note = {CC BY 4.0},
}
RIS
TY - UNPB
TI - Influence of chemical vapor deposition conditions on N incorporation ratio on vicinal 4H-SiC(000-1) surface: Ab Initio-based approach
AU - Wataru Ota
AU - Akira Kusaba
AU - Yoshihiro Kangawa
AU - Keisuke Kurashima
AU - Ichiro Mizushima
AU - Kenji Shiraishi
PY - 2026
DA - 2026/09/24
PB - arXiv
DO - 10.48550/arxiv.2609.28891
UR - https://arxiv.org/abs/2609.28891
AB - In experimental studies, increasing the ratio of source gases (C3H8/SiH4; C/Si ratio) for chemical vapor deposition (CVD) causes the growth rate to increase monotonically, and nitrogen incorporation tends to decrease accordingly; however, a unique phenomenon has been observed in which nitrogen incorporation increases discontinuously in the range of C/Si ratio between 1.0 and 1.5. This phenomenon is specific to the vicinal 4H-SiC(000-1) C-face and is not observed on the vicinal 4H-SiC(0001) Si-face. In this study, N incorporation behavior on a vicinal C-face during CVD is investigated using an ab initio-based approach. The calculation results suggest that when C/Si ratio is less than 1.0, the Si-terminated step edge is stable, whereas when C/Si ratio exceeds 1.0, the existence probability of the C-H-terminated step edge, where the N substitution energy is lower than in the former case, increases sharply. This change in the step-edge state across C/Si = 1.0 is thought to be the cause of the discontinuous increase in N incorporation.
ER -