activity
20112021
most citedComparative study of hybrid functionals applied to structural and electronic properties of semiconductors and insulators

89 citations · 678 across the 24 of their papers we have counts for

collaborators
Showing 2017Show all

4 papers · 1 filter

cond-mat.mtrl-sci2017★ 19 cited

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…

cond-mat.mtrl-sci2017★ 50 cited

A novel intrinsic interface state controlled by atomic stacking sequence at interfaces of SiC/SiO

Yu-ichiro Matsushita, Atsushi Oshiyama

On the basis of ab-initio total-energy electronic-structure calculations, we find that interface localized electron states at the SiC/SiO interface emerge in the energy region…

cond-mat.mtrl-sci2017★ 4 cited

Microscopic Mechanism of Carbon Annihilation upon SiC Oxidation due to Phosphorous Treatment: Density-Functional Calculations Combined with Ion Mass Spectrometry

Takuma Kobayashi, Yu-ichiro Matsushita, Takafumi Okuda +2

We report first-principles static and dynamic calculations that clarify the microscopic mechanism of carbon annihilation due to phosphorous treatment upon oxidation of silicon carb…

cond-mat.mtrl-sci2017★ 9 cited

Comprehensive study on band-gap variations in -bonded semiconductors: roles of electronic states floating in internal space

Yu-ichiro Matsushita, Atsushi Oshiyama

We have performed electronic structure calculations to explore the band-gap dependence on polytypes for -bonded semiconducting materials, i.e., SiC, AlN, BN, GaN, Si, and dia…