95 citations · 119 across the 4 of their papers we have counts for
7 papers
Energetics and electronic structure of native point defects in -Ga2O3
Takuma Kobayashi, Tomoya Gake, Yu Kumagai +2
We report first-principles calculations that clarify the formation energies and charge transition levels of native point defects (Ga and O vacancies, interstitials, and a Ga vacanc…
Native point defects and carbon clusters in 4H-SiC: A hybrid functional study
Takuma Kobayashi, Kou Harada, Yu Kumagai +2
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 c…
Structure and energetics of carbon-related defects in SiC (0001)/SiO systems revealed by first-principles calculations: Defects in SiC, SiO, and just at their interface
Takuma Kobayashi, Yu-ichiro Matsushita
We report first-principles calculations that reveal the atomic forms, stability, and energy levels of carbon-related defects in SiC (0001)/SiO systems. We clarify the sta…
Structural stability and energy levels of carbon-related defects in amorphous SiO and its interface with SiC
Yu-ichiro Matsushita, Atsushi Oshiyama
We report the density-functional calculations that systematically clarify the stable forms of carbon-related defects and their energy levels in amorphous SiO using the melt-que…
Unfolding energy spectra of multi-periodicity materials
Yu-ichiro Matsushita, Hirofumi Nishi, Jun-ichi Iwata +2
We propose a new unfolding scheme to analyze energy spectra of complex large-scale systems which are inherently of multi-periodicity. Considering twisted bilayer graphene (tBLG) as…
Analysis of single and composite structural defects in pure amorphous silicon: a first-principles study
Yoritaka Furukawa, Yu-ichiro Matsushita
The structural and electronic properties of amorphous silicon (-Si) are investigated by first-principles calculations based on the density-functional theory (DFT), focusing on t…