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cond-mat.mtrl-sci2023★ 5 cited
Atomic scale localization of Kohn-Sham wavefunction at SiO2/4H-SiC interface under electric field, deviating from envelope function by effective mass approximation
Hironori Yoshioka, Jun-Ichi Iwata, Yu-ichiro Matsushita
To clarify the cause of the low channel conductivity at the SiO2/4H-SiC interface, the wavefunction at the SiC conduction band minimum was calculated using density functional theor…
cond-mat.mtrl-sci2016
Microscopic mechanisms of initial formation process of graphene on SiC(0001) surfaces
Fumihiro Imoto, Jun-Ichi Iwata, Mauro Boero +1
We report total-energy calculations based on the density-functional theory that clarify microscopic mechanisms of initial stage of graphene formation on the SiC(0001) surface. We e…