19 citations · 76 across the 10 of their papers we have counts for
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Machine Learning Band Gap Predictions: Linking Quasiparticle Self-Consistent GW and LDA-Derived Partial Density of States
Shota Tankano, Takao Kotani, Masao Obata +3
Accurately calculating band gaps for given crystal structures is highly desirable. However, conventional first-principles calculations based on density functional theory (DFT) with…
Reinvestigation on large perpendicular magnetic anisotropy in Fe/MgO interface from first-principles approach
Nurul Ikhsan, Tomosato Kanagawa, Indra Pardede +2
We investigated electronic structure and magnetic anisotropy in the Fe/MgO interface of magnetic metal and dielectric insulator under the Cr layer of small electronegativity, by me…
Possible origin of nonlinear magnetic anisotropy variation in electric field effect in a double interface system
Daiki Yoshikawa, Masao Obata, Yusaku Taguchi +2
We investigated the effect of an electric field on the interface magnetic anisotropy of a thin MgO/Fe/MgO layer using density functional theory. The perpendicular magnetic anisotro…
Implementation of van der Waals Density Functional Approach to the Spin-Polarized System: Interaction Potential between Oxygen Molecules
Masao Obata, Makoto Nakamura, Ikutaro Hamada +1
We propose a practical approach to spin-polarized systems within the van der Waals density functional (vdW-DF). The method was applied to a gas phase oxygen molecule and a parallel…