303 citations · 1.9k across the 29 of their papers we have counts for
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Ab initio calculation for electronic structure and optical property of tungsten carbide in a TiCN-based cermet for solar thermal applications
Shota Hayakawa, Toshiharu Chono, Kosuke Watanabe +3
We present an ab initio calculation to understand electronic structures and optical properties of a tungsten carbide WC being a major component of a TiCN-based cermet. We found tha…
Comparative study of hybrid functionals applied to structural and electronic properties of semiconductors and insulators
Yu-ichiro Matsushita, Kazuma Nakamura, Atsushi Oshiyama
We present a systematic study that clarifies validity and limitation of current hybrid functionals in density functional theory for structural and electronic properties of various…
Combined approach of density functional theory and quantum Monte Carlo method to electron correlation in dilute magnetic semiconductors
Jun-ichiro Ohe, Yoshihiro Tomoda, Nejat Bulut +3
We present a realistic study for electronic and magnetic properties in dilute magnetic semiconductor (Ga,Mn)As. A multi-orbital Haldane-Anderson model parameterized by density-func…