Native point defects and carbon clusters in 4H-SiC: A hybrid functional study

We report first-principles calculations that clarify the formation energies and charge transition levels of native point defects and carbon clusters in the 4H polytype of silicon carbide (4H-SiC) under a carbon-rich condition. We applied a hybrid functional that reproduces the experimental bandgap o...

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Veröffentlicht in:	Journal of applied physics 2019-03, Vol.125 (12)
Hauptverfasser:	Kobayashi, Takuma, Harada, Kou, Kumagai, Yu, Oba, Fumiyasu, Matsushita, Yu-ichiro
Format:	Artikel
Sprache:	eng
Schlagworte:	Applied physics Atomic properties Atomic structure Carbon Clusters First principles Free energy Heat of formation Interstitials Lattice vacancies Optimization Point defects Polytypes Silicon carbide
Online-Zugang:	Volltext
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